SCHEMBL18255649

SCHEMBL18255649

CC[C@@H](NC)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FAAH O00519 1/20 0.44
SLC6A4 P31645 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL11065022 1.00 PNMT (0.49) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL172624 0.87 TAS1R3 (0.48) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL11407610 0.85 PNMT (0.47) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL10217243 0.85 PNMT (0.51) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL18252839 0.85 PNMT (0.47) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL28220660 0.85 HTR2A (0.54) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL19443029 0.85 PNMT (0.51) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL14262202 0.85 PNMT (0.51) PNMTMEN1ALDH1A1CYP1A2POLB
Hydrochloric Acid SCHEMBL19244848 0.84 PNMT (0.50) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL18593504 0.83 PNMT (0.45) PNMTMEN1POLBKMT2ASMN1; SMN2

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
EP-3297438-B1 CCR2 MODULATORS CHEMOCENTRYX INC (US) 2021-10-20 EP disclosed
US-20200121688-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2020-04-23 US disclosed
WO-2019136368-A2 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2019-07-11 WO disclosed
WO-2019060820-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CHEMOCENTRYX, INC. (US) 2019-03-28 WO disclosed
US-9783540-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2017-10-10 US disclosed
US-20160340356-A1 CCR2 MODULATORS CHEMOCENTRYX, INC. 2016-11-24 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 (2 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-20200121688-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 PNMT 2379/4885MEN1 4868/4885ALDH1A1 1316/4885
US-20160340356-A1 CCR2 MODULATORS CCR2, CCR1, CCR5 PNMT 3762/4885MEN1 4866/4885ALDH1A1 1533/4885

“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.