SCHEMBL6636747

SCHEMBL6636747

COc1cc(N)c2ncc(C)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
KDM4E B2RXH2 1/20 0.38
PSMD14 O00487 1/20 0.38
COPS5 Q92905 1/20 0.38
HTR1A P08908 1/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
PARP1 P09874 1/20 0.36
NFKBIA P25963 2/20 0.36
SLC40A1 Q9NP59 2/20 0.36
RELA Q04206 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL2320914 0.81 NPC1 (0.34) KDM4ENOS3NOS1NOS2NPC1
SCHEMBL1927302 0.81 DYRK1A (0.37) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL1325275 0.76 EGFR (0.51) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL25687216 0.75 CCR1 (0.70) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL11546700 0.74 PIM1 (0.44) CCR1CCR5CCR8KDM4ENFKBIA
SCHEMBL7722139 0.72 FGFR1 (0.37) KDM4ENOS3NOS1NOS2NPC1
SCHEMBL454942 0.72 CYP1A2 (0.55) KDM4EHTR1ANFKBIASLC40A1RELA
Bromide SCHEMBL1143538 0.71 CYP1A2 (0.53) KDM4EHTR1ANFKBIASLC40A1RELA
SCHEMBL23904743 0.71 CCR1 (0.52) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL441572 0.70 NFKBIA (0.52) CCR1CCR5KDM4EHTR1ANFKBIA

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
EP-1147083-B1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-06-16 EP disclosed
US-6465482-B2 ANTIDEPRESSANTS; ANXIOLYTIC AGENTS; SEROTONIN-AFFECTED NERVOUS SYSTEM DISORDERS; ACTING AT THE 5-HT1A AUTORECEPTORS CONCOMMITANTLY WITH 5-HT TRANSPORTERS; ANTISEROTONIN AGENTS; SEROTONIN REUPTAKE INHIBITORS; HT3 RECEPTOR ANTAGONISTS WYETH 2002-10-15 US disclosed
US-20020045628-A1 Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-18 US disclosed
US-6313126-B1 FOR THRERAPY OF DISORDERS ASSOCIATED WITH DYSFUNCTION IN SEROTONERGIC NEUROTRANSMISSION, INCLUDING DEPRESSION AND ANXIETY AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1147083-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-24 EP disclosed
WO-2000040554-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed
US-4167638-A Process for production of 8-NHR quinolines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1979-09-11 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-20020045628-A1 Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression HTR2C, TPH1, TPH2 CCR1 340/4885CCR5 311/4885CCR8 838/4885

“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.