SCHEMBL695095

SCHEMBL695095

[CH2]Cc1ccc2c(c1)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FAAH O00519 1/20 0.40
RXRB P28702 1/20 0.40
CYP2D6 P10635 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CETP P11597 1/20 0.39

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
SCHEMBL11411476 0.98 NPC1 (0.44) TSHRALDH1A1HPGDLMNAMAPT
SCHEMBL9720050 0.80 TSHR (0.46) TSHRALDH1A1HPGDLMNAMAPT
SCHEMBL2096753 0.77 RXRB (0.45) TSHRALDH1A1HPGDMAPTCYP1A2
SCHEMBL9110285 0.77 RXRB (0.42) ALDH1A1MAPTNPC1RAB9ARXRB
SCHEMBL2990486 0.76 TSHR (0.42) TSHRALDH1A1HPGDLMNAMAPT
SCHEMBL3284644 0.76 TSHR (0.42) TSHRALDH1A1HPGDMAPTCYP1A2
SCHEMBL2633408 0.76 GRIN2B (0.46) TSHRALDH1A1HPGDLMNAMAPT
SCHEMBL5504129 0.76 KMT2A (0.47) TSHRALDH1A1LMNAMAPTMEN1
SCHEMBL30361595 0.76 NPC1 (0.53) TSHRALDH1A1HPGDLMNAMAPT
SCHEMBL14286077 0.76 TSHR (0.42) TSHRALDH1A1HPGDLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421852-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124121-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-1023044-B1 APATITE-COATED SOLID COMPOSITION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-02-04 EP disclosed
US-20030185878-A1 Process for producing phospholipid-containing drug TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
US-6552054-B1 For prophylaxis and therapy of bone diseases and chondropathy TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 US disclosed
EP-1293197-A1 PROCESS FOR PRODUCING PHOSPHOLIPID-CONTAINING DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
US-6531604-B2 Useful as medicines having an osteogenesis promoting effect and chondrogensis promoting effect. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-11 US disclosed
EP-0949927-B1 PHARMACEUTICAL COMPOSITION CONTAINING OSTEOGENESIS-PROMOTING SUBSTANCE AND A POLYETHYLENE GLYCOL TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-16 EP disclosed
US-20020128308-A1 Benzothiepine derivatives, their production and use YASUMA TSUNEO (JP) 2002-09-12 US disclosed
EP-1211251-A1 CHROMONE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed
EP-1208850-A1 PASTES WITH THE SUSTAINED RELEASE OF OSTEOGENESIS PROMOTER Takeda Chemical Industries, Ltd. (JP) 2002-05-29 EP disclosed
WO-1998015263-A2 A METHOD FOR PRODUCING A MICROPARTICLE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-16 WO disclosed
EP-0831808-A1 OSTEOGENETIC PROMOTING PHARMACEUTICAL COMPOSITION Takeda Chemical Industries, Ltd. (JP) 1998-04-01 EP disclosed
WO-1998008517-A2 PHARMACEUTICAL COMPOSITION CONTAINING OSTEOGENESIS-PROMOTING SUBSTANCE AND A POLYETHYLENE GLYCOL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO disclosed
WO-1996039134-A1 OSTEOGENETIC PROMOTING PHARMACEUTICAL COMPOSITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-12 WO disclosed
EP-0376197-B1 Sulfur-containing heterocyclic compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-10-12 EP disclosed
US-5158943-A Osteoporosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-27 US disclosed
EP-0460488-A1 Sulfur-containing heterocyclic compounds Takeda Chemical Industries, Ltd. (JP) 1991-12-11 EP disclosed
US-5071841-A For prevention of bone reabsorption TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-12-10 US disclosed
EP-0376197-A1 Sulfur-containing heterocyclic compounds Takeda Chemical Industries, Ltd. (JP) 1990-07-04 EP 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 (2 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-20020128308-A1 Benzothiepine derivatives, their production and use APP, BMP1, BACE1 TSHR 3357/4885ALDH1A1 3170/4885HPGD 1307/4885
US-20030185878-A1 Process for producing phospholipid-containing drug PHOSPHO1, PLTP, PTDSS2 TSHR 3530/4885ALDH1A1 3155/4885HPGD 2031/4885

“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.