SCHEMBL1841963

SCHEMBL1841963

Ic1cccc2c3c([nH]c12)CCNC3

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.66
PARP1 P09874 2/20 0.54
NISCH Q9Y2I1 2/20 0.51
SIRT2 Q8IXJ6 1/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTR5A P47898 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
RAD52 P43351 1/20 0.39
KMT2A Q03164 1/20 0.39
PNMT P11086 4/20 0.39
GFER P55789 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
Hydrochloric Acid SCHEMBL1841842 0.98 TAAR1 (0.68) TAAR1PARP1NISCHSIRT2HTR2A
SCHEMBL24222406 0.82 TAAR1 (0.68) TAAR1PARP1NISCHSIRT2HTR2A
SCHEMBL2246257 0.81 TAAR1 (0.97) TAAR1PARP1NISCHSIRT2HTR2A
SCHEMBL31020998 0.81 TAAR1 (0.66) TAAR1PARP1NISCHSIRT2HTR2A
SCHEMBL2247036 0.81 TAAR1 (0.66) TAAR1PARP1NISCHSIRT2HTR2A
SCHEMBL21154445 0.81 TAAR1 (0.66) TAAR1PARP1NISCHSIRT2HTR2A
SCHEMBL1991623 0.81 NISCH (0.77) TAAR1PARP1NISCHSIRT2HTR2A
Hydrochloric Acid SCHEMBL1841812 0.79 TAAR1 (0.68) TAAR1PARP1NISCHSIRT2HTR2A
Hydrochloric Acid SCHEMBL3314590 0.79 NISCH (0.75) TAAR1PARP1NISCHSIRT2HTR2A
SCHEMBL1844351 0.78 TAAR1 (0.62) TAAR1PARP1NISCHSIRT2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024924-A1 SOLID STATE FORMS OF LUMATEPERONE SALTS AND PROCESSES FOR PREPARATION OF LUMATEPERONE AND SALTS THEREOF ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2022-01-27 US disclosed
WO-2020112941-A2 SOLID STATE FORMS OF LUMATEPERONE SALTS AND PROCESSES FOR PREPARATION OF LUMATEPERONE AND SALTS THEREOF TEVA CZECH INDUSTRIES S.R.O (CZ) 2020-06-04 WO disclosed
EP-1581221-B1 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-05-18 EP disclosed
EP-1581221-A4 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-11-26 EP disclosed
US-7109339-B2 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
EP-1581221-A2 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
US-20040180875-A1 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 US disclosed
WO-2004056324-A2 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-08 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 (2 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-20220024924-A1 SOLID STATE FORMS OF LUMATEPERONE SALTS AND PROCESSES FOR PREPARATION OF LUMATEPERONE AND SALTS THEREOF RALA, TACR1, SRM TAAR1 828/4885PARP1 4453/4885NISCH 5/4885
US-20040180875-A1 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists HTR1A, HTR7, HTR5A TAAR1 123/4885PARP1 1411/4885NISCH 1157/4885

“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.