SCHEMBL5562736

SCHEMBL5562736

Fc1ccc2c(ccn2CC2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.49
HTR2A P28223 2/20 0.49
CNR1 P21554 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GRIN1 Q05586 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2B Q13224 1/20 0.42
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
NPY5R Q15761 1/20 0.40
ACHE P22303 1/20 0.40
PRMT5 O14744 1/20 0.40
P2RX7 Q99572 1/20 0.40
HTR6 P50406 3/20 0.40
HTR7 P34969 1/20 0.39
MAPK9 P45984 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL30437542 0.92 HTR2C (0.53) HTR2CHTR2AGRIN2BCDK4CCND1
SCHEMBL8535051 0.84 HTR7 (0.48) HTR2CHTR2AKCNH2CDK4CCND1
SCHEMBL14220738 0.82 HTR2A (0.50) HTR2CHTR2ACNR1CYP1A2CYP2C9
SCHEMBL23902695 0.82 PRKCI (0.44) CNR1ACHEHTR6HTR7
SCHEMBL30365011 0.82 PRKCI (0.44) CNR1ACHEHTR6HTR7
SCHEMBL31200469 0.81 TFPI2 (0.46) HTR2CHTR2ACNR1GRIN2BNPY5R
SCHEMBL22439496 0.79 HTR6 (0.59) HTR2CHTR2ACDK4CCND1HTR6
SCHEMBL30292332 0.78 HTR2A (0.52) HTR2CHTR2ACYP1A2CYP2C9CYP2C19
SCHEMBL6588850 0.78 ACHE (0.50) ACHE
SCHEMBL28567591 0.77 ACHE (0.54) CYP2C9CYP2C19ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304064-B2 1-[(indol-3-yl)carbonyl]piperazine derivatives N.V. ORGANON (NL) 2007-12-04 US disclosed
EP-1549637-B1 1- (INDOL-3-YL)CARBONYL PIPERAZINE DERIVATIVES ORGANON NV (NL) 2007-05-02 EP disclosed
CN-1298716-C 1-[(indol-3-yl)carbonyl] piperazine derivatives AKZO NOBEL NV (NL) 2007-02-07 CN disclosed
US-20050250760-A1 1-[(Indol-3-yl)carbonyl]piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2005-11-10 US disclosed
CN-1668611-A 1-[(indol-3-yl)carbonyl] piperazine derivatives AKZO NOBEL NV (NL) 2005-09-14 CN disclosed
EP-1549637-A1 1- (INDOL-3-YL)CARBONYL PIPERAZINE DERIVATIVES Akzo Nobel N.V. (NL) 2005-07-06 EP disclosed
WO-2004000832-A1 1-[(INDOL-3-YL)CARBONYL] PIPERAZINE DERIVATIVES AKZO NOBEL N.V. (NL) 2003-12-31 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 (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-20050250760-A1 1-[(Indol-3-yl)carbonyl]piperazine derivatives IDO1, OPRL1, OPRK1 HTR2C 263/4885HTR2A 466/4885CNR1 13/4885

“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.