SCHEMBL18255841

SCHEMBL18255841

COC1CN(C)Cc2cc(C(F)(F)F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 15/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.42
▸ SRD5A1 P18405 1/20 0.40
▸ SLC6A2 P23975 12/20 0.39
▸ SLC6A3 Q01959 12/20 0.39
▸ CYP2D6 P10635 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37

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
SCHEMBL23938306 0.84 PNMT (0.37) SLC6A4HRH3SRD5A1KCNH2
SCHEMBL18252819 0.82 KCNH2 (0.44) HRH3SRD5A1KCNH2
SCHEMBL20013725 0.82 KCNH2 (0.37) SLC6A4HRH3SRD5A1KCNH2
SCHEMBL18255846 0.81 SRD5A1 (0.42) SLC6A4HRH3SRD5A1SLC6A2SLC6A3
SCHEMBL18255842 0.81 SRD5A1 (0.42) SLC6A4HRH3SRD5A1SLC6A2SLC6A3
SCHEMBL23938293 0.81 SLC6A4 (0.43) SLC6A4HRH3SRD5A1SLC6A2SLC6A3
SCHEMBL18255844 0.81 SRD5A1 (0.42) SLC6A4HRH3SRD5A1SLC6A2SLC6A3
SCHEMBL18254950 0.81 SLC6A4 (0.44) SLC6A4HRH3SRD5A1SLC6A2SLC6A3
SCHEMBL5249380 0.75 SLC6A4 (0.69) SLC6A4HRH3SLC6A2SLC6A3CYP2D6
SCHEMBL10954592 0.74 SLC6A4 (0.41) SLC6A4HRH3SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3297438-B1 CCR2 MODULATORS CHEMOCENTRYX INC (US) 2021-10-20 — — EP 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 (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-20160340356-A1 CCR2 MODULATORS CCR2, CCR1, CCR5 SLC6A4 4017/4885HRH3 802/4885SRD5A1 3132/4885

“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