SCHEMBL3038616

SCHEMBL3038616

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(CC2CC2)CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.47
MCHR1 Q99705 8/20 0.47
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
CCR2 P41597 2/20 0.45
CCR3 P51677 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL3043043 0.97 MEN1 (0.48) TACR1MCHR1UBE2MDCUN1D1CA1
SCHEMBL3041690 0.95 CCR2 (0.46) TACR1MCHR1UBE2MDCUN1D1CA1
SCHEMBL3034250 0.89 FAAH (0.44) MCHR1SMN1; SMN2ALDH1A1TSHRCCR2
SCHEMBL14221707 0.87 MAPT (0.48) MCHR1SMN1; SMN2ALDH1A1MEN1TSHR
SCHEMBL3038625 0.86 ALDH1A1 (0.53) TACR1MCHR1UBE2MDCUN1D1LMNA
SCHEMBL3033257 0.86 ALDH1A1 (0.48) TACR1MCHR1CA1CA2CA7
SCHEMBL3778720 0.85 PARP1 (0.51) MCHR1TSHRKMT2ACCR2
SCHEMBL13222974 0.85 CCR2 (0.47) TACR1SMN1; SMN2ALDH1A1TSHRCCR2
SCHEMBL14221740 0.85 CCR2 (0.43) SMN1; SMN2ALDH1A1TSHRCCR2
SCHEMBL3038611 0.84 FAAH (0.49) TACR1MCHR1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 US claimed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 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-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE CCR2, CCR1, CCR5 TACR1 539/4885MCHR1 325/4885UBE2M 4733/4885

“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.