SCHEMBL4487457

SCHEMBL4487457

COc1cc(N2CCN(C(=O)C(NC(=O)C3CCCC3)C(C)C)CC2)c(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
TSHR P16473 3/20 0.55
LMNA P02545 2/20 0.55
CCR1 P32246 5/20 0.53
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MC4R P32245 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
SCHEMBL4487454 1.00 KMT2A (0.55) KMT2ATSHRLMNACCR1MEN1
Trifluoroacetic Acid SCHEMBL5444973 0.94 KMT2A (0.52) KMT2ATSHRLMNACCR1MEN1
SCHEMBL10291933 0.82 CCR1 (0.51) KMT2ATSHRLMNACCR1POLB
SCHEMBL13606408 0.81 CCR1 (0.64) KMT2ALMNACCR1ALDH1A1MAPT
SCHEMBL4489756 0.78 LMNA (0.50) KMT2ATSHRLMNACCR1MEN1
SCHEMBL4489758 0.78 LMNA (0.50) KMT2ATSHRLMNACCR1MEN1
Trifluoroacetic Acid SCHEMBL4508906 0.77 CCR1 (0.58) KMT2ALMNACCR1ALDH1A1MAPT
SCHEMBL4501206 0.77 NPSR1 (0.48) KMT2ALMNACCR1MEN1ALDH1A1
SCHEMBL4501202 0.77 NPSR1 (0.48) KMT2ALMNACCR1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL4502717 0.76 NPSR1 (0.48) KMT2ALMNACCR1MEN1ALDH1A1

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
US-8609664-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2013-12-17 US disclosed
EP-1973880-B1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-08-07 EP disclosed
US-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-7615556-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-10 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-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCR1 KMT2A 2333/4885TSHR 357/4885LMNA 4043/4885

“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.