SCHEMBL6637833

SCHEMBL6637833

COc1cc(N2CCNCC2)c2cc[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.56
HTR6 P50406 4/20 0.56
HTR3A P46098 5/20 0.51
HTR3E A5X5Y0 4/20 0.51
HTR3B O95264 4/20 0.51
HTR3D Q70Z44 4/20 0.51
HTR3C Q8WXA8 4/20 0.51
NCF1 P14598 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
HTR1A P08908 4/20 0.45
HTR7 P34969 2/20 0.45
DRD2 P14416 1/20 0.44
CYP2C19 P33261 1/20 0.44
DRD3 P35462 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL18690971 0.78 HTR6 (0.60) ADRB1HTR6HTR3AHTR3EHTR3B
SCHEMBL6376236 0.78 ADRB1 (0.60) ADRB1HTR6HTR3AHTR3EHTR3B
SCHEMBL7531490 0.78 ADRB1 (0.50) ADRB1HTR6HTR3AHTR3EHTR3B
SCHEMBL6637909 0.77 DRD4 (0.65) NCF1SIGMAR1DRD2DRD3MEN1
SCHEMBL31652183 0.75 HTR6 (0.57) ADRB1HTR6NCF1HTR1ADRD2
SCHEMBL30060433 0.74 KDM4E (0.57) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL1012802 0.72 ADRB1 (1.00) ADRB1HTR6HTR3AHTR3EHTR3B
SCHEMBL21256026 0.71 HTR3A (0.58) ADRB1HTR6HTR3AHTR3EHTR3B
SCHEMBL443521 0.71 ADRB1 (1.00) ADRB1HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL6730585 0.71 ADRB1 (0.97) ADRB1HTR6HTR3AHTR3EHTR3B

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 4 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

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 ADRB1 373/4885HTR6 14/4885HTR3A 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.