SCHEMBL18252816

SCHEMBL18252816

CC(C)NCc1cc(CCC(=O)O)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.47
▸ FFAR4 Q5NUL3 3/20 0.47
▸ PPARA Q07869 2/20 0.42
▸ TACR1 P25103 6/20 0.42
▸ THRA P10827 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ PPARD Q03181 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CCR2 P41597 2/20 0.39

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
SCHEMBL21346465 0.89 FFAR1 (0.45) FFAR1FFAR4PPARATACR1THRA
SCHEMBL18255658 0.84 FFAR1 (0.50) FFAR1FFAR4PPARATACR1THRA
SCHEMBL3585844 0.80 MRGPRX4 (0.45) PPARATACR1CCR2
SCHEMBL14569541 0.80 IDO1 (0.47) TACR1LMNAALDH1A1CCR2
SCHEMBL1015795 0.80 LMNA (0.54) FFAR1FFAR4TACR1THRATHRB
SCHEMBL18252828 0.80 KDM4E (0.41) FFAR1FFAR4PPARATACR1ALDH1A1
SCHEMBL24951048 0.80 FFAR1 (0.46) FFAR1FFAR4PPARATACR1THRA
SCHEMBL18252827 0.77 PTGDR (0.43) FFAR1PPARATACR1PPARDALDH1A1
SCHEMBL14558092 0.77 KEAP1 (0.50) FFAR1FFAR4
SCHEMBL30151169 0.76 FFAR4 (0.48) FFAR1FFAR4PPARATACR1THRA

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 8 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-20200121688-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2020-04-23 — — US disclosed
US-10464934-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2019-11-05 — — US disclosed
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2018-03-29 — — 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 (5 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-10464934-B2 Substituted tetrahydropyrans as CCR2 modulators CCR2, CCR1, CCR5 FFAR1 163/4885FFAR4 234/4885PPARA 181/4885
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 FFAR1 163/4885FFAR4 234/4885PPARA 181/4885
US-20200121688-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 FFAR1 163/4885FFAR4 234/4885PPARA 181/4885
US-20230263784-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CCR2, PDCD1LG2, CD274 FFAR1 563/4885FFAR4 747/4885PPARA 224/4885
US-20160340356-A1 CCR2 MODULATORS CCR2, CCR1, CCR5 FFAR1 198/4885FFAR4 281/4885PPARA 226/4885

“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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