SCHEMBL4791996

SCHEMBL4791996

Cc1ccc2[nH]c3c(c2c1C)CNCC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
RAD52 P43351 1/20 0.45
KMT2A Q03164 1/20 0.45
PARP1 P09874 2/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
RECQL P46063 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NISCH Q9Y2I1 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR5A P47898 1/20 0.38

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
SCHEMBL11499244 0.87 NISCH (0.49) TAAR1SIRT2RAD52KMT2AHTR2A
SCHEMBL31020970 0.81 TAAR1 (0.55) TAAR1SIRT2RAD52KMT2APARP1
SCHEMBL21621771 0.81 TAAR1 (0.55) TAAR1SIRT2RAD52KMT2APARP1
Hydrochloric Acid SCHEMBL23828286 0.79 TAAR1 (0.58) TAAR1SIRT2RAD52KMT2APARP1
SCHEMBL11351638 0.78 SIRT2 (0.42) TAAR1SIRT2RAD52KMT2APARP1
SCHEMBL11178725 0.77 SIRT2 (0.41) TAAR1SIRT2RAD52KMT2APARP1
SCHEMBL11351122 0.77 SIRT2 (0.41) TAAR1SIRT2RAD52KMT2APARP1
SCHEMBL31020934 0.77 TAAR1 (0.45) TAAR1SIRT2RAD52KMT2APARP1
SCHEMBL14581525 0.77 TAAR1 (0.45) TAAR1SIRT2RAD52KMT2APARP1
Hydrochloric Acid SCHEMBL4791753 0.75 TAAR1 (0.48) TAAR1SIRT2RAD52KMT2APARP1

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 TAAR1 49/4885SIRT2 3955/4885RAD52 4380/4885

“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.