SCHEMBL7516459

SCHEMBL7516459

COC(C)CC1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
GBA1 P04062 1/20 0.31
CTSK P43235 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31

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
SCHEMBL20211919 0.80 CPN1 (0.40) CPN1CPB2TDP1GBA1GNAI3
SCHEMBL11239152 0.79 CTSK (0.42) CTSK
SCHEMBL14537236 0.77 CTSK (0.45) CTSK
SCHEMBL101998 0.77 CPN1 (0.44) CPN1CPB2TDP1GBA1GNAI3
SCHEMBL27547662 0.76 CPN1 (0.39) CPN1CPB2TDP1CTSKGNAI3
SCHEMBL21188809 0.75 CPN1 (0.42) CPN1CPB2TDP1GBA1GNAI3
Hydrochloric Acid SCHEMBL10276516 0.75 CPN1 (0.42) CPN1CPB2TDP1GBA1GNAI3
SCHEMBL27819298 0.74 CPN1 (0.44) CPN1CPB2CTSK
Hydrochloric Acid SCHEMBL11313056 0.74 CPN1 (0.44) CPN1CPB2CTSK
SCHEMBL23569925 0.73 CPN1 (0.41) CPN1CPB2TDP1GBA1GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455548-B2 FOR PROPHYLAXIS AND THERAPY OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS MERCK & CO., INC. 2002-09-24 US disclosed
US-20020013348-A1 4-alkyl piperidinyl pyrrolidine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-01-31 US disclosed
WO-2001064216-A1 4-ALKYL PIPERIDINYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2001-09-07 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-20020013348-A1 4-alkyl piperidinyl pyrrolidine modulators of chemokine receptor activity CCR1, CCR4, CCR3 CPN1 1931/4885CPB2 3021/4885TDP1 4063/4885

“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.