SCHEMBL18254950

SCHEMBL18254950

CN1Cc2cc(C(F)(F)F)ccc2C(F)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 12/20 0.44
▸ HRH3 Q9Y5N1 3/20 0.44
▸ SRD5A1 P18405 1/20 0.42
▸ SLC6A2 P23975 9/20 0.40
▸ SLC6A3 Q01959 9/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ CHRNB2 P17787 2/20 0.37
▸ CHRNA4 P43681 2/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ PNMT P11086 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
SCHEMBL18255842 0.84 SRD5A1 (0.42) SLC6A4HRH3SRD5A1SLC6A2SLC6A3
SCHEMBL18255844 0.84 SRD5A1 (0.42) SLC6A4HRH3SRD5A1SLC6A2SLC6A3
SCHEMBL18255846 0.84 SRD5A1 (0.42) SLC6A4HRH3SRD5A1SLC6A2SLC6A3
SCHEMBL23938293 0.84 SLC6A4 (0.43) SLC6A4HRH3SRD5A1SLC6A2SLC6A3
SCHEMBL18255841 0.81 SLC6A4 (0.42) SLC6A4HRH3SRD5A1SLC6A2SLC6A3
SCHEMBL18252818 0.81 HTR2B (0.42) SRD5A1ALDH1A1CHRNB2CHRNA4CHRNB4
SCHEMBL18255001 0.81 SLC6A4 (0.38) SLC6A4HRH3SRD5A1ALDH1A1CHRNB2
SCHEMBL5249380 0.79 SLC6A4 (0.69) SLC6A4HRH3SLC6A2SLC6A3CYP2D6
SCHEMBL19398828 0.75 SLC6A4 (0.38) SLC6A4HRH3SLC6A2SLC6A3CYP2D6
SCHEMBL2056192 0.74 DPP7 (0.47) SRD5A1ALDH1A1PNMT

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
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
WO-2016187393-A1 CCR2 MODULATORS CHEMOCENTRYX, INC. (US) 2016-11-24 — — WO 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.

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