SCHEMBL4790752

SCHEMBL4790752

Cc1cc(C)c2c3c(n(C)c2c1)CCNC3

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 10/20 0.41
▸ HTR2A P28223 3/20 0.41
▸ HTR2C P28335 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SIRT2 Q8IXJ6 2/20 0.36
▸ SIRT1 Q96EB6 1/20 0.34

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
SCHEMBL11489861 0.88 MCHR1 (0.39) MCHR1HTR2AHTR2CKDM4EALOX15
SCHEMBL15977193 0.79 MCHR1 (0.54) MCHR1HTR2AHTR2CKDM4EALOX15
SCHEMBL4790613 0.76 HTR2C (0.46) MCHR1HTR2AHTR2CKDM4EALOX15
SCHEMBL15977197 0.74 MCHR1 (0.44) MCHR1HTR2AHTR2CKDM4EALOX15
SCHEMBL30569677 0.73 HTR2A (0.51) MCHR1HTR2AHTR2CKDM4EALOX15
SCHEMBL18404827 0.70 MCHR1 (0.52) MCHR1HTR2AHTR2CKDM4EALOX15
SCHEMBL7409136 0.70 HTR6 (0.38) —
Hydrochloric Acid SCHEMBL7411937 0.69 HTR6 (0.37) —
SCHEMBL21088048 0.69 MCHR1 (0.53) MCHR1HTR2AHTR2CKDM4EALOX15
SCHEMBL21153968 0.69 MCHR1 (0.53) MCHR1HTR2AHTR2CKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910361-A2 SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS Brystol-Myers Squibb Company (US) 2008-04-16 — — EP claimed
WO-2007016353-A2 SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 — — WO claimed
US-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 — — US claimed
EP-1910361-A2 SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS Brystol-Myers Squibb Company (US) 2008-04-16 — — EP disclosed
WO-2007016353-A2 SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 — — WO disclosed
WO-2007016353-A2 SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 — — WO disclosed
US-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 — — US disclosed
US-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 — — US disclosed
US-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 — — 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 (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-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists HTR2B, HTR1A, HTR3B MCHR1 113/4885HTR2A 12/4885HTR2C 6/4885

“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.

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