SCHEMBL18252801

SCHEMBL18252801

CC(C)NCc1cc(OC(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ HTR2A P28223 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35

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
SCHEMBL18252804 0.86 MEN1 (0.47) ALDH1A1IDO1MEN1KMT2ACASR
SCHEMBL18252800 0.84 RXRA (0.43) ALDH1A1IDO1MEN1KMT2AHTR2A
SCHEMBL14569541 0.84 IDO1 (0.47) ALDH1A1IDO1HTR2AHTR2BSIGMAR1
SCHEMBL16727029 0.80 FFAR4 (0.39) IDO1FFAR4HTR2AHTR2BSIGMAR1
SCHEMBL18252827 0.78 PTGDR (0.43) ALDH1A1RAF1BRAFTACR1
SCHEMBL15693713 0.78 FFAR4 (0.42) ALDH1A1IDO1MEN1KMT2AFFAR4
SCHEMBL18252826 0.78 ALDH1A1 (0.41) ALDH1A1IDO1MEN1KMT2AHTR2A
SCHEMBL14438263 0.78 CYP3A4 (0.43) ALDH1A1IDO1HTR2AHTR2BSIGMAR1
SCHEMBL24229573 0.76 ALDH1A1 (0.41) ALDH1A1IDO1MEN1KMT2AHTR2A
SCHEMBL18252812 0.76 KCNH2 (0.44) ALDH1A1IDO1MEN1KMT2AHTR2A

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 4 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-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-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 (3 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-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 ALDH1A1 1316/4885IDO1 647/4885MEN1 4868/4885
US-20230263784-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CCR2, PDCD1LG2, CD274 ALDH1A1 1295/4885IDO1 225/4885MEN1 3893/4885
US-20160340356-A1 CCR2 MODULATORS CCR2, CCR1, CCR5 ALDH1A1 1533/4885IDO1 899/4885MEN1 4866/4885

“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