SCHEMBL1447375

SCHEMBL1447375

NN1CCCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
AVPR2 P30518 6/20 0.47
AVPR1A P37288 5/20 0.47
SIGMAR1 Q99720 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NOTUM Q6P988 1/20 0.44
OXTR P30559 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
CDK4 P11802 1/20 0.44
ALOX15 P16050 1/20 0.44
CCND1 P24385 1/20 0.44
MGLL Q99685 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1448243 0.98 AVPR2 (0.46) TSHRAVPR2AVPR1ASIGMAR1SMN1; SMN2
SCHEMBL9837085 0.98 AVPR2 (0.46) TSHRAVPR2AVPR1ASIGMAR1SMN1; SMN2
SCHEMBL29612036 0.94 SMN1; SMN2 (0.53) TSHRSIGMAR1SMN1; SMN2NOTUMMEN1
SCHEMBL483231 0.94 SMN1; SMN2 (0.53) TSHRSIGMAR1SMN1; SMN2NOTUMMEN1
Hydrochloric Acid SCHEMBL5428326 0.92 SMN1; SMN2 (0.52) TSHRSIGMAR1SMN1; SMN2NOTUMMEN1
SCHEMBL29625280 0.85 MEN1 (0.54) TSHRSIGMAR1SMN1; SMN2NOTUMMEN1
SCHEMBL112247 0.85 MEN1 (0.54) TSHRSIGMAR1SMN1; SMN2NOTUMMEN1
Hydrochloric Acid SCHEMBL27490360 0.83 MEN1 (0.52) TSHRSIGMAR1NOTUMMEN1ALDH1A1
Hydrochloric Acid SCHEMBL1163794 0.83 MEN1 (0.52) TSHRSIGMAR1NOTUMMEN1ALDH1A1
Propane SCHEMBL6216652 0.78 ALDH1A1 (0.52) TSHRSIGMAR1NOTUMMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473563-B1 REACTIVE CYANINE COMPOUNDS PROMEGA CORP (US) 2019-06-19 EP disclosed
US-8309059-B2 Reactive cyanine compounds PROMEGA CORPORATION (US) 2012-11-13 US disclosed
US-20110053162-A1 REACTIVE CYANINE COMPOUNDS PROMEGA CORPORATION (US) 2011-03-03 US disclosed
US-7238690-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-20060178362-A1 Substituted heterocyle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2006-08-10 US disclosed
US-7081455-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-25 US disclosed
US-20040209864-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-10-21 US disclosed
EP-1189905-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-09-29 EP disclosed
US-20040127482-A1 Administering substituted heterocycle fused gamma-carboline compounds for therapy of addictive behavior associated with 5HT2C receptor modulation ROBICHAUD ALBERT J (US) 2004-07-01 US disclosed
EP-0805157-B1 INDOLE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2003-06-04 EP disclosed
EP-1025087-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-08-09 EP disclosed
WO-1999021836-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 WO disclosed
EP-0906283-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-04-07 EP disclosed
US-5849731-A Indole derivatives and medical application thereof TORAY INDUSTRIES, INC. (JP) 1998-12-15 US disclosed
EP-0529452-B1 1,7-Condensed 3-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SOLVAY PHARM GMBH (DE) 1998-11-11 EP disclosed
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO disclosed
EP-0805157-A1 INDOLE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1997-11-05 EP disclosed
US-5324725-A Antiinflammatory agent, antiallergen KALI-CHEMIE PHARMA GMBH (DE) 1994-06-28 US disclosed
US-5223625-A Antagonistic acitivity on 5-hydroxytryptamine receptors DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1993-06-29 US disclosed
EP-0529452-A2 1,7-Condensed 2-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them Kali-Chemie Pharma GmbH (DE) 1993-03-03 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 (4 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-20110053162-A1 REACTIVE CYANINE COMPOUNDS IK, CRYAA, POLL TSHR 4125/4885AVPR2 4494/4885AVPR1A 4552/4885
US-20040209864-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 TSHR 485/4885AVPR2 424/4885AVPR1A 328/4885
US-20060178362-A1 Substituted heterocyle fused gamma-carbolines HTR2B, HTR1B, HTR3B TSHR 294/4885AVPR2 572/4885AVPR1A 215/4885
US-20040127482-A1 Administering substituted heterocycle fused gamma-carboline compounds for therapy of addictive behavior associated with 5HT2C receptor modulation HTR2C, HTR2B, HTR3B TSHR 384/4885AVPR2 366/4885AVPR1A 341/4885

“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.