SCHEMBL5853395

SCHEMBL5853395

CCc1cccc(F)c1CC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
KDM4E B2RXH2 3/20 0.40
TAAR1 Q96RJ0 6/20 0.39
HTR1A P08908 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
RIPK1 Q13546 2/20 0.37
LMNA P02545 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36

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
SCHEMBL16587908 0.86 GABRA1 (0.38) GABRA1GABRB2KDM4ETAAR1ALDH1A1
SCHEMBL91337 0.85 KDM4E (0.45) GABRA1GABRB2KDM4ETAAR1ALDH1A1
SCHEMBL14140079 0.85 GABRA1 (0.41) GABRA1GABRB2KDM4ETAAR1HTR1A
SCHEMBL20252575 0.85 TAAR1 (0.43) GABRA1GABRB2KDM4ETAAR1HTR1A
SCHEMBL16962802 0.85 GABRA1 (0.41) GABRA1GABRB2KDM4ETAAR1ALDH1A1
SCHEMBL17857328 0.85 HTT (0.39) GABRA1GABRB2KDM4ETAAR1ALDH1A1
SCHEMBL17858593 0.85 HTT (0.39) GABRA1GABRB2KDM4ETAAR1ALDH1A1
SCHEMBL320965 0.85 GABRA1 (0.46) GABRA1GABRB2KDM4ETAAR1HTR1A
SCHEMBL18984003 0.85 GABRA1 (0.46) GABRA1GABRB2KDM4ETAAR1HTR1A
SCHEMBL19446544 0.85 GABRA1 (0.41) GABRA1GABRB2KDM4ETAAR1HTR1A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4238962-A1 METHOD FOR PRODUCING DIIMINOPYRROLE COMPOUND Godo Shigen Co., Ltd. (JP) 2023-09-06 EP disclosed
CN-105764897-A Use of macrocylic picolinamides as fungicides 美国陶氏益农公司 2016-07-13 CN disclosed
CN-105745205-A Use of macrocyclic picolinamides as fungicides 美国陶氏益农公司 2016-07-06 CN disclosed
US-9035056-B2 Pyrido[4,3-b]indole and pyrido[3,4-b]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-9035056-B2 Pyrido[4,3-b]indole and pyrido[3,4-b]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-8906925-B2 Pyrido[4,3-B]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
US-8906925-B2 Pyrido[4,3-B]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
US-20140206711-A1 PYRIDO[4,3-b]INDOLE AND PYRIDO[3,4-b]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-24 US disclosed
US-20140206711-A1 PYRIDO[4,3-b]INDOLE AND PYRIDO[3,4-b]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-24 US disclosed
US-20130225558-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-29 US disclosed
US-20130225558-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-29 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20120211082-A1 PHOTOELECTRIC CONVERSION DEVICE AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-23 US disclosed
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed
US-7084077-B2 Method of fabricating multilayer interconnect wiring structure having low dielectric constant insulator film with enhanced adhesivity KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-01 US disclosed
US-20050085097-A1 Method of fabricating multilayer interconnect wiring structure having low dielectric constant insulator film with enhanced adhesivity SEMICONDUCTOR LEADING EDGE TECHNOLOGIES, INC. (JP) 2005-04-21 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 (3 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-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A GABRA1 110/4885GABRB2 153/4885KDM4E 318/4885
US-20140206711-A1 PYRIDO[4,3-b]INDOLE AND PYRIDO[3,4-b]INDOLE DERIVATIVES AND METHODS OF USE HTR1B, HTR2B, HTR2A GABRA1 332/4885GABRB2 110/4885KDM4E 3331/4885
US-20130225558-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C GABRA1 123/4885GABRB2 99/4885KDM4E 1462/4885

“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.