SCHEMBL24322685

SCHEMBL24322685

CN(C(=O)[C@@H]1CCCN1)C1CCN(CCc2ccccc2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 8/20 0.53
CCR5 P51681 2/20 0.50
KCNH2 Q12809 1/20 0.45
TACR2 P21452 1/20 0.45
TACR1 P25103 1/20 0.45
TACR3 P29371 1/20 0.45
OPRM1 P35372 1/20 0.42

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
SCHEMBL24322754 0.88 CCR4 (0.51) CCR4CCR5OPRM1
SCHEMBL24322708 0.85 OPRM1 (0.54) CCR4CCR5KCNH2OPRM1
SCHEMBL24322373 0.83 CCR4 (0.50) CCR4CCR5KCNH2OPRM1
SCHEMBL24322461 0.82 CCR4 (0.55) CCR4CCR5OPRM1
SCHEMBL24322905 0.81 CCR4 (0.54) CCR4CCR5KCNH2OPRM1
SCHEMBL24322750 0.81 SIGMAR1 (0.56) CCR4CCR5KCNH2OPRM1
SCHEMBL24323862 0.73 HTR6 (0.47)
SCHEMBL24322530 0.73 OPRM1 (0.58) KCNH2OPRM1
SCHEMBL24322900 0.72 ALDH1A1 (0.50) CCR5KCNH2TACR3
Pipramadol SCHEMBL2111004 0.71 CCR5 (0.48) CCR4CCR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN CCR4 3820/4885CCR5 1812/4885KCNH2 4773/4885

“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.