SCHEMBL822111

SCHEMBL822111

CCC1=Nc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.40
SHMT2 P34897 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
TRPA1 O75762 3/20 0.38
SIGMAR1 Q99720 1/20 0.38
CCR3 P51677 1/20 0.35
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13645494 0.82 NOS3 (0.52) HRH4SHMT2NOS3NOS1NOS2
SCHEMBL13207840 0.80 HRH4 (0.36) HRH4NOS3NOS1NOS2TRPA1
SCHEMBL11565601 0.79 NOS3 (0.39) HRH4NOS3NOS1NOS2TRPA1
SCHEMBL5833897 0.79 NOS3 (0.44) HRH4NOS3NOS1NOS2TRPA1
SCHEMBL14300643 0.79 NOS3 (0.39) HRH4NOS3NOS1NOS2TRPA1
SCHEMBL11563083 0.79 NOS3 (0.39) HRH4NOS3NOS1NOS2TRPA1
SCHEMBL13408650 0.79 HRH4 (0.37) HRH4NOS3NOS1NOS2TRPA1
SCHEMBL14402445 0.79 HRH4 (0.37) HRH4NOS3NOS1NOS2TRPA1
SCHEMBL26711824 0.79 HRH4 (0.37) HRH4NOS3NOS1NOS2TRPA1
SCHEMBL28246116 0.78 KCNH2 (0.41) HRH4SIGMAR1ALDH1A1HTR2ACYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3892623-B1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF KOREA RES INST CHEMICAL TECH (KR) 2024-07-10 EP disclosed
US-20230286929-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 US disclosed
EP-3892623-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2021-10-13 EP disclosed
EP-3715409-B1 SULFUR-MODIFIED CHLOROPRENE RUBBER COMPOSITION, VULCANIZED PRODUCT, MOLDED ARTICLE USING SAID VULCANIZED PRODUCT AND METHOD FOR PRODUCING SULFUR-MODIFIED CHLOROPRENE RUBBER COMPOSITION DENKA COMPANY LTD (JP) 2021-10-06 EP disclosed
EP-3778586-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF East China University of Science and Technology (CN) 2021-02-17 EP disclosed
WO-2020116971-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF 한국화학연구원 2020-06-11 WO disclosed
US-9951066-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2018-04-24 US disclosed
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2018-03-22 US disclosed
US-20180002256-A1 DOUBLE-SPIRO TYPE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-01-04 US disclosed
US-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands GENESTE HERVE 2010-02-25 US disclosed
US-20090297850-A1 HOLLOW FIBER, DOPE COMPOSITION FOR FORMING HOLLOW FIBER, AND METHOD OF MAKING HOLLOW FIBER USING THE SAME IUCF-HYU(INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2009-12-03 US disclosed
US-20090286078-A1 POLYIMIDES DOPE COMPOSITION, PREPARATION METHOD OF HOLLOW FIBER USING THE SAME AND HOLLOW FIBER PREPARED THEREFROM INDUSTRY-UNIVERSITY COOPERATION FOUNDATION, HANYANG UNIVERSITY (KR) 2009-11-19 US disclosed
US-20090286904-A1 POLYAMIC ACIDS DOPE COMPOSITION, PREPARATION METHOD OF HOLLOW FIBER USING THE SAME AND HOLLOW FIBER PREPARED THEREFROM INDUSTRY-UNIVERSITY COOPERATION FOUNDATION, HANYANG UNIVERSITY (KR) 2009-11-19 US disclosed
US-20090282982-A1 HOLLOW FIBER, DOPE COMPOSITION FOR FORMING HOLLOW FIBER, AND METHOD OF PREPARING HOLLOW FIBER USING THE SAME IUCF-HYU (INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2009-11-19 US disclosed
EP-2067767-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-06-10 EP disclosed
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
US-7279468-B2 Integrin ligands ABBOTT GMBH & CO. KG (DE) 2007-10-09 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands ITGB3, ITGAL, ITGB4 HRH4 609/4885SHMT2 4667/4885NOS3 3767/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HRH4 4546/4885SHMT2 480/4885NOS3 1156/4885
US-20230286929-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP4B1, CYP2E1 HRH4 88/4885SHMT2 4243/4885NOS3 2856/4885
US-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B HRH4 1367/4885SHMT2 4768/4885NOS3 3942/4885
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 HRH4 1503/4885SHMT2 2584/4885NOS3 1027/4885
US-20180002256-A1 DOUBLE-SPIRO TYPE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME NR2E3, CRY1, CRY2 HRH4 4772/4885SHMT2 3981/4885NOS3 3343/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB HRH4 2428/4885SHMT2 1852/4885NOS3 2492/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.