SCHEMBL3070167

SCHEMBL3070167

[CH2]c1ccccc1-c1nnnn1C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HTR2C P28335 1/20 0.40
KCNN4 O15554 9/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
P2RX7 Q99572 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
SCHEMBL22786993 0.81 KCNN4 (0.47) SMN1; SMN2HIF1ANPSR1RXFP1HTR2C
SCHEMBL30147353 0.78 HSD11B1 (0.61) SMN1; SMN2KCNN4ALDH1A1LMNAP2RX7
SCHEMBL20684736 0.78 KCNN4 (0.54) SMN1; SMN2HIF1ANPSR1RXFP1HTR2C
SCHEMBL3051119 0.77 P2RX7 (0.46) HTR2CKCNN4ALDH1A1P2RX7
SCHEMBL12748014 0.76 AGTR1 (0.46) SMN1; SMN2HIF1ANPSR1RXFP1HTR2C
SCHEMBL21091600 0.75 KCNN4 (0.57) KCNN4ALDH1A1P2RX7
SCHEMBL13491996 0.75 HIF1A (0.41) SMN1; SMN2HIF1ANPSR1RXFP1HTR2C
SCHEMBL3784925 0.74 KCNN4 (0.51) SMN1; SMN2HIF1ANPSR1RXFP1HTR2C
SCHEMBL7211222 0.74 LMNA (0.44) SMN1; SMN2HIF1ANPSR1RXFP1HTR2C
SCHEMBL9822769 0.74 HIF1A (0.46) SMN1; SMN2HIF1ANPSR1RXFP1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 WO disclosed
US-6211219-B1 DRUGS, ANALGESICS AND AGONISTS MERCK SHARP & DOHME LTD. (GB) 2001-04-03 US disclosed
US-6150391-A Diazabicyclo-octane derivatives as 5-HT receptor ligands MERCK SHARP & DOHME LTD. 2000-11-21 US disclosed
US-6140347-A Azetidine, pyrrolidine and piperidine derivatives as 5-HT receptor agonists MERCK SHARP & DOHME LTD. (GB) 2000-10-31 US disclosed
US-6107321-A Diazabicyclooctane derivatives having selective 5-HT1Dalpha agonist activity MERCK SHARP & DOHME LTD. (GB) 2000-08-22 US disclosed
US-6054469-A Substituted tetrahydropyridine derivatives acting on 5-HT receptors MERCK SHARP & DOHME LTD. (GB) 2000-04-25 US disclosed
US-6051591-A Diazabicyclooctane derivatives MERCK SHARP & DOHME LTD. (GB) 2000-04-18 US disclosed
WO-1997028162-A1 DIAZABICYCLO-OCTANE DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1997-08-07 WO disclosed
WO-1997019073-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 WO disclosed
WO-1997018202-A1 SUBSTITUTED PIPERIDINE DERIVATIVES AS SELECTIVE AGONISTS OF 5-HT RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1997-05-22 WO disclosed
WO-1997018204-A1 SUBSTITUTED TETRAHYDROPYRIDINE DERIVATIVES ACTING ON 5-HT RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1997-05-22 WO disclosed
WO-1997018203-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-22 WO disclosed
WO-1997016446-A1 BICYCLIC HETEROARYL-ALKYLENE-(HOMO)PIPERAZINONES AND THIONE ANALOGUES THEREOF, THEIR PREPARATION AND THEIR USE AS SELECTIVE AGONISTS OF 5-HT1-LIKE RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1997-05-09 WO disclosed
WO-1997011945-A1 DIAZABICYCLOOCTANE DERIVATIVES HAVING SELECTIVE 5-HT1DALPHA ANTAGONIST ACTIVITY MERCK SHARP & DOHME LIMITED (GB) 1997-04-03 WO disclosed
WO-1997011949-A1 DIAZABICYCLOOCTANE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-04-03 WO disclosed
EP-0759918-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-03-05 EP disclosed
WO-1995032196-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-30 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 (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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 SMN1; SMN2 3814/4885HIF1A 149/4885NPSR1 678/4885

“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.