SCHEMBL2014329

SCHEMBL2014329

C(CC1CC[N]CC1)CC1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
FAAH O00519 1/20 0.37
GNAO1 P09471 3/20 0.36
SLC6A4 P31645 2/20 0.36
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
GBA1 P04062 1/20 0.32
NAMPT P43490 1/20 0.32
GNAI3 P08754 2/20 0.32
GNAI1 P63096 2/20 0.32
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL8563966 0.91 HRH3 (0.40) HRH3ITGB3ITGA2BFAAHGNAO1
SCHEMBL11636554 0.85 CYP1A2 (0.36)
SCHEMBL237382 0.85 ITGB3 (0.47) HRH3ITGB3ITGA2BFAAHGNAO1
SCHEMBL8097693 0.83 ITGB3 (0.46) HRH3ITGB3ITGA2BFAAHGNAO1
Hydrochloric Acid SCHEMBL10840761 0.83 ITGB3 (0.46) HRH3ITGB3ITGA2BFAAHGNAO1
SCHEMBL331124 0.80 HRH3 (0.47) HRH3ITGB3ITGA2BFAAHGNAO1
SCHEMBL22582330 0.78 GNAO1 (0.46) HRH3ITGB3ITGA2BFAAHGNAO1
SCHEMBL8728914 0.78 GNAO1 (0.46) HRH3ITGB3ITGA2BFAAHGNAO1
SCHEMBL8732145 0.78 GNAO1 (0.46) HRH3ITGB3ITGA2BFAAHGNAO1
SCHEMBL8994016 0.78 GNAO1 (0.46) HRH3ITGB3ITGA2BFAAHGNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268375-B1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS TRANSITIONS OPTICAL INC (US) 2022-06-15 EP claimed
EP-3071576-B9 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2021-12-22 EP claimed
EP-3071576-B1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2021-08-18 EP claimed
EP-2333028-B1 Photochromic compounds TRANSITIONS OPTICAL INC (US) 2017-11-08 EP claimed
EP-2652552-B9 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-02-17 EP claimed
EP-2652552-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP claimed
US-9051332-B1 Photochromic indeno-fused ring pyran compounds TRANSITIONS OPTICAL, INC. (US) 2015-06-09 US claimed
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-21 US claimed
US-9029565-B1 Fused ring indeno compounds for preparation of photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US claimed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US claimed
EP-2333028-A1 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2011-06-15 EP claimed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 US claimed
EP-1639058-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2006-03-29 EP claimed
WO-2005005570-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2005-01-20 WO claimed
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL LIMITED (IE) 2005-01-06 US claimed
EP-3621958-B1 PHOTOCHROMIC INDENO FUSED PHENANTHRENOPYRAN COMPOUNDS TRANSITIONS OPTICAL LTD (IE) 2024-07-10 EP disclosed
EP-2718755-B1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2024-05-29 EP disclosed
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL LIMITED (IE) 2005-01-06 US disclosed
US-5668131-A CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-09-16 US disclosed
WO-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 WO 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-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 CCND1, CCND3, CCND2 HRH3 4098/4885ITGB3 1893/4885ITGA2B 2456/4885
US-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX HRH3 994/4885ITGB3 3755/4885ITGA2B 4322/4885
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds INF2, INCENP, RB1 HRH3 1529/4885ITGB3 2529/4885ITGA2B 3501/4885

“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.