SCHEMBL6017085

SCHEMBL6017085

Fc1ccc2c(c1)nc(C1CC1)n2C1CC2CCC(C1)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.44
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 2/20 0.38
TBXA2R P21731 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
LRRK2 Q5S007 1/20 0.34
GNRHR P30968 1/20 0.34
CPT1A P50416 1/20 0.34

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
SCHEMBL13543527 0.84 SMN1; SMN2 (0.53) CCR3CYP11B1CYP11B2SMN1; SMN2HTT
SCHEMBL3523976 0.84 SMN1; SMN2 (0.53) CCR3CYP11B1CYP11B2SMN1; SMN2HTT
SCHEMBL1573878 0.74 ALDH1A1 (0.44) KDM4EALDH1A1GAAPKMSLC6A2
SCHEMBL6017062 0.74 CYP11B2 (0.43) CYP11B2SLC6A2SLC6A4SLC6A3
SCHEMBL6344442 0.71 CCR3 (0.54) CCR3CYP11B1CYP11B2SLC6A2SLC6A4
SCHEMBL2711944 0.68 CCR3 (0.48) CCR3SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL31587253 0.67 ALDH1A1 (0.46) CCR3SMN1; SMN2HTTMAPK1TBXA2R
SCHEMBL10268288 0.66 HTR3E (0.45) TBXA2RCHRM1
SCHEMBL16128124 0.66 OPRM1 (0.45) CCR3CYP11B1CYP11B2SMN1; SMN2HTT
SCHEMBL3527117 0.65 LMNA (0.47) SMN1; SMN2HTTMAPK1KDM4EALDH1A1

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-1648888-A1 N-(HETEROBICYCLOALKANES)-SUBSTITUTED INDOLES OR HETERODERIVATIVES THEREOF Boehringer Ingelheim International GmbH (DE) 2006-04-26 EP disclosed
US-20050014782-A1 Novel n-(heterobicycloalkanes)-substituted indoles-or heteroderivatives thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US disclosed
WO-2005005425-A1 N-(HETEROBICYCLOALKANES)-SUBTITUTED INDOLES- OR HETERODERIVATIVES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 WO disclosed
EP-1496058-A1 Novel N-(heterobicycloalkanes)-substituted Indoles or heteroderivatives thereof Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-12 EP 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-20050014782-A1 Novel n-(heterobicycloalkanes)-substituted indoles-or heteroderivatives thereof CCR3, CCR1, CCRL2 CCR3 1/4885CYP11B1 493/4885CYP11B2 679/4885

“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.