SCHEMBL6468259

SCHEMBL6468259

CCc1cc(C(F)(F)F)nc(N2C[C@@H](O)[C@H](N3CCN(C(=O)c4ccc(Cl)cc4)CC3)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.42
▸ GBA1 P04062 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PROKR1 Q8TCW9 2/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SLC6A7 Q99884 2/20 0.38
▸ MGLL Q99685 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ RHOC P08134 2/20 0.37
▸ RHOA P61586 2/20 0.37
▸ P2RY12 Q9H244 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36

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
SCHEMBL1258594 1.00 HSD17B10 (0.42) HSD17B10GBA1TP53PROKR1MAPT
SCHEMBL1257628 0.91 HSD17B10 (0.48) HSD17B10GBA1MAPTKMT2ASLC6A7
SCHEMBL6468540 0.91 HSD17B10 (0.48) HSD17B10GBA1MAPTKMT2ASLC6A7
SCHEMBL1257267 0.89 GBA1 (0.51) HSD17B10GBA1PROKR1MAPTMEN1
SCHEMBL2400509 0.89 GBA1 (0.51) HSD17B10GBA1PROKR1MAPTMEN1
SCHEMBL1256185 0.89 HSD17B10 (0.44) HSD17B10GBA1MAPTMEN1KMT2A
SCHEMBL2403331 0.89 GBA1 (0.51) HSD17B10GBA1PROKR1MAPTMEN1
SCHEMBL6372881 0.88 GBA1 (0.52) HSD17B10GBA1TP53PROKR1MAPT
SCHEMBL1257439 0.86 HSD17B10 (0.42) HSD17B10GBA1PROKR1MAPTMEN1
SCHEMBL6467687 0.86 HSD17B10 (0.42) HSD17B10GBA1PROKR1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364420-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-11 — — US disclosed
US-20130123270-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-05-16 — — US disclosed
US-8168788-B2 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-05-01 — — US disclosed
US-20110237601-A1 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-29 — — US disclosed
US-7880002-B2 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-01 — — US disclosed
US-7880002-B2 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-01 — — 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 (3 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-20110237601-A1 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists ACKR3, CCR5, CCR2 HSD17B10 3762/4885GBA1 2527/4885TP53 1613/4885
US-20140364420-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 HSD17B10 3762/4885GBA1 2527/4885TP53 1613/4885
US-20130123270-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 HSD17B10 3762/4885GBA1 2527/4885TP53 1613/4885

“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.

Send feedback