SCHEMBL6310062

SCHEMBL6310062

O=C(NC1CN2CC[C@H]1C2)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
PKM P14618 1/20 0.59
CHRNA7 P36544 8/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
HDAC8 Q9BY41 1/20 0.51
CCR3 P51677 1/20 0.50
AKR1C3 P42330 1/20 0.49
MCHR1 Q99705 1/20 0.48

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
SCHEMBL373008 0.94 NPC1 (0.63) NPC1PKMCHRNA7HTR3EHTR3B
SCHEMBL6650550 0.91 CHRNA7 (0.59) NPC1PKMCHRNA7HTR3EHTR3B
SCHEMBL6652308 0.90 CHRNA7 (0.54) NPC1PKMCHRNA7HTR3EHTR3B
SCHEMBL6306473 0.89 CHRNA7 (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6310103 0.88 CHRNA7 (0.49) NPC1PKMCHRNA7HTR3EHTR3B
SCHEMBL6311059 0.88 PARP10 (0.53) NPC1PKMCHRNA7HTR3EHTR3B
SCHEMBL6303344 0.84 CHRNA7 (0.50) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6311448 0.84 CHRNA7 (0.50) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6311063 0.84 PGR (0.51) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6305621 0.84 CHRNA7 (0.59) CHRNA7HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US claimed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 NPC1 46/4885PKM 987/4885CHRNA7 2937/4885

“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.