SCHEMBL3579226

SCHEMBL3579226

CN1CCC(N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 11/20 0.69
KMT2A Q03164 1/20 0.64
SIGMAR1 Q99720 2/20 0.61
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
OPRK1 P41145 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL3576909 0.82 CCR5 (0.53) CCR5KMT2AKCNH2
SCHEMBL4925891 0.82 CCR5 (0.55) CCR5SIGMAR1ALDH1A1LMNA
SCHEMBL12359048 0.81 CCR5 (0.69) CCR5KMT2ASIGMAR1KCNH2
Hydrochloric Acid SCHEMBL4209085 0.81 CCR5 (0.54) CCR5SIGMAR1ALDH1A1LMNA
SCHEMBL27879571 0.81 CCR5 (0.54) CCR5KMT2ASIGMAR1ALDH1A1LMNA
SCHEMBL3931865 0.81 ALDH1A1 (0.69) CCR5KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL27712294 0.80 CCR5 (0.53) CCR5KMT2ASIGMAR1ALDH1A1LMNA
SCHEMBL16625302 0.80 CCR5 (0.51) CCR5KMT2AKCNH2
SCHEMBL3048764 0.80 CCR5 (0.71) CCR5KMT2AKCNH2
Hydrochloric Acid SCHEMBL3035507 0.79 CCR5 (0.70) CCR5KMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109605-B1 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2013-02-20 EP disclosed
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 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-20100144706-A1 Compounds MKI67, CCNA1, CCNT1 CCR5 1629/4885KMT2A 3248/4885SIGMAR1 323/4885

“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.