SCHEMBL3962258

SCHEMBL3962258

CCCCC1CC[N]CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.38
NOS1 P29475 5/20 0.37
NOS2 P35228 5/20 0.37
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
TLR4 O00206 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
EPHX1 P07099 1/20 0.32
PKM P14618 1/20 0.32
NOS3 P29474 1/20 0.32
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL1455911 0.93 CYP1A2 (0.50) CYP1A2MAPK1HTTLMNAMAPT
SCHEMBL7519477 0.91 CYP1A2 (0.48) CYP1A2MAPK1HTTLMNAMAPT
SCHEMBL6399663 0.86
SCHEMBL6403085 0.86 CYP1A2 (0.67) CYP1A2MAPK1HTTLMNAMAPT
SCHEMBL771485 0.84
SCHEMBL11636554 0.84 CYP1A2 (0.36) CYP1A2
SCHEMBL5691762 0.81 CYP1A2 (0.74) CYP1A2MAPK1HTTLMNAMAPT
SCHEMBL97616 0.81
SCHEMBL8330878 0.81 TSHR (0.40) CYP1A2HTTMAPTHPGDMEN1
SCHEMBL2733122 0.79 CYP1A2 (0.41) CYP1A2MAPK1HTTLMNANOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
EP-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 EP disclosed
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
EP-1005458-B1 CARBOSTYRIL DERIVATIVES FOR INHIBITING SKIN ERYTHEMA AND/OR SKIN PIGMENTATION OTSUKA PHARMA CO LTD (JP) 2004-10-13 EP disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 EP disclosed
EP-0115334-B1 BENZO-HETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-07-22 EP disclosed
EP-0225886-A1 NEW PYRIDAZINE COMPOSITIONS, PRODUCTION PROCESS THEREOF AND FUNGICIDES AND ALGICIDES CONTAINING THEM. CHEMIE LINZ AG (AT) 1987-06-24 EP disclosed
WO-1986006719-A1 NEW PYRIDAZINE COMPOSITIONS, PRODUCTION PROCESS THEREOF AND FUNGICIDES AND ALGICIDES CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-11-20 WO disclosed
US-4594347-A MICROBIOCIDES OTSUKA PHARMACEUTICAL CO. LIMITED (JP) 1986-06-10 US disclosed
US-4552879-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-11-12 US disclosed
EP-0115334-A1 Benzo-heterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-08 EP disclosed
US-4399134-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-08-16 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 (1 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R CYP1A2 612/4885MAPK1 791/4885HTT 4558/4885

“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.