SCHEMBL18252804

SCHEMBL18252804

COc1cc(CNC(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CASR P41180 5/20 0.43
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.39
▸ IDO1 P14902 2/20 0.39
▸ WDR5 P61964 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ BMP1 P13497 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
SCHEMBL18252801 0.86 ALDH1A1 (0.38) MEN1KMT2ACASRALDH1A1TMEM97
SCHEMBL18252800 0.85 RXRA (0.43) MEN1KMT2ARXRARXRBRXRG
SCHEMBL14569541 0.85 IDO1 (0.47) ALDH1A1TMEM97IDO1
SCHEMBL21346322 0.83 TSHR (0.53) MEN1KMT2ACASRALDH1A1TSHR
SCHEMBL15211737 0.82 RXRA (0.43) MEN1KMT2ARXRARXRBRXRG
SCHEMBL18252827 0.79 PTGDR (0.43) RXRARXRBRXRGALDH1A1KDM4E
SCHEMBL14438263 0.79 CYP3A4 (0.43) CASRALDH1A1TMEM97IDO1HTT
SCHEMBL18252826 0.79 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TMEM97IDO1
SCHEMBL24229573 0.78 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TMEM97IDO1
SCHEMBL18252812 0.78 KCNH2 (0.44) MEN1KMT2AALDH1A1TMEM97IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263784-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CHEMOCENTRYX, INC. 2023-08-24 — — US disclosed
US-20210346361-A1 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-11-11 — — US disclosed
US-11154556-B2 Methods of treating solid tumors with CCR2 antagonists CHEMOCENTRYX, INC. (US) 2021-10-26 — — US disclosed
US-20190275015-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CHEMOCENTRYX, INC. 2019-09-12 — — US disclosed
US-20190209573-A1 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-07-11 — — US disclosed
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2018-03-29 — — US disclosed
US-9783540-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2017-10-10 — — US 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 (7 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-20210346361-A1 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS CCR2, CXCR2, CCRL2 MEN1 4433/4885KMT2A 703/4885CASR 511/4885
US-20190275015-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CCR2, PDCD1LG2, CD274 MEN1 3893/4885KMT2A 1473/4885CASR 2679/4885
US-20190209573-A1 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS CCR2, CXCR2, CCRL2 MEN1 4373/4885KMT2A 538/4885CASR 481/4885
US-11154556-B2 Methods of treating solid tumors with CCR2 antagonists CCR2, CXCR2, CCRL2 MEN1 4373/4885KMT2A 538/4885CASR 481/4885
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 MEN1 4868/4885KMT2A 4009/4885CASR 2364/4885
US-20230263784-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CCR2, PDCD1LG2, CD274 MEN1 3893/4885KMT2A 1473/4885CASR 2679/4885
US-20160340356-A1 CCR2 MODULATORS CCR2, CCR1, CCR5 MEN1 4866/4885KMT2A 4246/4885CASR 1543/4885

“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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