SCHEMBL10200047

SCHEMBL10200047

CN1CCN(c2ccc3c(n2)OCCNC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.42
HTR3E A5X5Y0 4/20 0.42
HTR3B O95264 4/20 0.42
HTR3D Q70Z44 4/20 0.42
HTR3C Q8WXA8 4/20 0.42
HRH4 Q9H3N8 4/20 0.42
HRH3 Q9Y5N1 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
THPO P40225 1/20 0.42
ASIC3 Q9UHC3 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
MAP4K4 O95819 1/20 0.37
HTR2B P41595 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL2111857 0.89 HRH4 (0.45) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL10199989 0.89 HTR2C (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2113003 0.89 HTR2C (0.42) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2110759 0.87 HTR2C (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2109063 0.87 HTR2C (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL2108664 0.87 HTR2C (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2110161 0.87 HTR2A (0.41) HRH4NPSR1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2109266 0.86 HTR2A (0.40) HRH4NPSR1HTR2AHTR2CHTR2B
Bromide SCHEMBL2111576 0.86 HTR2A (0.40) HRH4NPSR1HTR2AHTR2CHTR2B
SCHEMBL10200130 0.86 HRH3 (0.38) HRH4HRH3KDM4EALDH1A1NPSR1

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 HTR3A 8/4885HTR3E 18/4885HTR3B 3/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B HTR3A 8/4885HTR3E 18/4885HTR3B 3/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HTR3A 8/4885HTR3E 18/4885HTR3B 3/4885

“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.