SCHEMBL10199989

SCHEMBL10199989

c1cc2c(nc1N1CCNCC1)OCCNC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.49
HTR2A P28223 2/20 0.49
HTR2B P41595 1/20 0.45
HTR3E A5X5Y0 4/20 0.44
HTR3B O95264 4/20 0.44
HTR3A P46098 4/20 0.44
HTR3D Q70Z44 4/20 0.44
HTR3C Q8WXA8 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 2/20 0.44
SLC6A4 P31645 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR7 P34969 1/20 0.44
HTT P42858 1/20 0.44

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
Hydrochloric Acid SCHEMBL2108664 0.99 HTR2C (0.48) HTR2CHTR2AHTR2BHTR3EHTR3B
SCHEMBL2113003 0.91 HTR2C (0.42) HTR2CHTR2AHTR2BHTR3EHTR3B
SCHEMBL2110161 0.90 HTR2A (0.41) HTR2CHTR2AHTR2BHTTHRH4
SCHEMBL2109063 0.90 HTR2C (0.41) HTR2CHTR2AHTR2BHTR3EHTR3B
SCHEMBL2110759 0.90 HTR2C (0.41) HTR2CHTR2AHTR2BHTR3EHTR3B
Bromide SCHEMBL2111576 0.89 HTR2A (0.40) HTR2CHTR2AHTR2BHTTHRH4
SCHEMBL10200047 0.89 HTR3A (0.42) HTR2CHTR2AHTR2BHTR3EHTR3B
Hydrochloric Acid SCHEMBL2109266 0.89 HTR2A (0.40) HTR2CHTR2AHTR2BHTTADRB2
SCHEMBL10200535 0.87 HTR2C (0.37) HTR2CHTR2AHTR2BHTR3EHTR3B
Hydrochloric Acid SCHEMBL2108679 0.86 HTR2A (0.36) HTR2CHTR2AHTR2BHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 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 (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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HTR2C 1/4885HTR2A 4/4885HTR2B 5/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B HTR2C 1/4885HTR2A 4/4885HTR2B 5/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HTR2C 1/4885HTR2A 4/4885HTR2B 5/4885

“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.