SCHEMBL9728002

SCHEMBL9728002

CN1CCC(CCCC2CCNCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 4/20 0.53
ITGB3 P05106 7/20 0.49
ITGA2B P08514 7/20 0.49
NCF1 P14598 1/20 0.45
GNAI3 P08754 3/20 0.43
GNAI1 P63096 3/20 0.43
ACHE P22303 2/20 0.42
HRH3 Q9Y5N1 2/20 0.40
ALDH1A1 P00352 1/20 0.39
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
NAMPT P43490 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
SCHEMBL3994450 0.91 GNAO1 (0.56) GNAO1ITGB3ITGA2BNCF1GNAI3
SCHEMBL245769 0.87 NCF1 (0.56) GNAO1NCF1GNAI3GNAI1ACHE
SCHEMBL4036508 0.83 NCF1 (0.48) GNAO1ITGB3ITGA2BNCF1GNAI3
SCHEMBL24319448 0.82 GNAO1 (0.53) GNAO1NCF1GNAI3GNAI1ACHE
SCHEMBL9675410 0.82 GNAO1 (0.57) GNAO1ITGB3ITGA2BGNAI3GNAI1
SCHEMBL11164665 0.82 NCF1 (0.56) GNAO1NCF1GNAI3GNAI1ACHE
SCHEMBL237382 0.82 ITGB3 (0.47) GNAO1ITGB3ITGA2BGNAI3GNAI1
SCHEMBL16079060 0.81 GNAO1 (0.69) GNAO1ITGB3ITGA2BGNAI3GNAI1
SCHEMBL13183482 0.80 GNAO1 (0.58) GNAO1ITGB3ITGA2BGNAI3GNAI1
SCHEMBL11157613 0.80 NCF1 (0.54) GNAO1NCF1GNAI3GNAI1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005763-B2 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2018-06-26 US disclosed
EP-3002287-B1 Thiochromeno[2,3-c]quinolin-12-one derivatives and their use as topoisomerase inhibitors NAT DEFENSE MEDICAL CENTER (TW) 2018-01-31 EP disclosed
US-20160332995-A1 Photochromic Comounds TRANSITIONS OPTICAL, INC. 2016-11-17 US disclosed
US-9469728-B2 Temperature and pH-sensitive block copolymer having excellent safty in vivo and hydrogel and drug delivery system using thereof SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE (KR) 2016-10-18 US disclosed
US-9405041-B2 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2016-08-02 US disclosed
US-20160209561-A1 Photochromic Articles That Include Photochromic-Dichroic Materials TRANSITIONS OPTICAL, INC. 2016-07-21 US disclosed
US-9334439-B2 Photochromic articles that include photochromic-dichroic materials TRANSITIONS OPTICAL, INC. (US) 2016-05-10 US disclosed
US-20150197492-A1 NOVEL INDENO[1,2-c]QUINOLIN-11-ONE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF NATIONAL DEFENSE MEDICAL CENTER (TW) 2015-07-16 US disclosed
US-9051332-B1 Photochromic indeno-fused ring pyran compounds TRANSITIONS OPTICAL, INC. (US) 2015-06-09 US disclosed
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-21 US disclosed
US-9029565-B1 Fused ring indeno compounds for preparation of photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
US-8927717-B1 Thiochromeno[2,3-c]quinolin-12-one derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2015-01-06 US disclosed
US-20140272468-A1 PHOTOCHROMIC ARTICLES THAT INCLUDE PHOTOCHROMIC-DICHROIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2014-09-18 US disclosed
US-20140154514-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2014-06-05 US disclosed
US-8582192-B2 Polarizing photochromic articles TRANSITIONS OPTICAL, INC. (US) 2013-11-12 US disclosed
US-20110279883-A1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2011-11-17 US disclosed
US-20110140056-A1 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2011-06-16 US disclosed
US-5175158-A CONDENSED DIAZEPINONES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS DR. KARL THOMAE, GMBH (DE) 1992-12-29 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 (5 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-20160332995-A1 Photochromic Comounds CCR4, CCR3, CCR8 GNAO1 794/4885ITGB3 346/4885ITGA2B 2185/4885
US-10005763-B2 Photochromic compounds CCR4, CCR8, CBR3 GNAO1 509/4885ITGB3 415/4885ITGA2B 2177/4885
US-20110140056-A1 Indeno-fused ring compounds CRY2, SQOR, INTS6 GNAO1 3043/4885ITGB3 2010/4885ITGA2B 1364/4885
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds INF2, INCENP, RB1 GNAO1 1945/4885ITGB3 2529/4885ITGA2B 3501/4885
US-20150197492-A1 NOVEL INDENO[1,2-c]QUINOLIN-11-ONE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF TOP1, TOP2A, TOP2B GNAO1 2028/4885ITGB3 4628/4885ITGA2B 4612/4885

“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.