SCHEMBL13222953

SCHEMBL13222953

O=C(N1CCN(c2cccc(C(F)(F)F)c2)CC1)C1(CC2CC2)CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.52
▸ MAPT P10636 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ CHRM4 P08173 1/20 0.48
▸ UBE2M P61081 1/20 0.48
▸ DCUN1D1 Q96GG9 1/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ KDM4C Q9H3R0 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3042039 0.87 MAPT (0.52) LMNAMAPTSMN1; SMN2MAPK1HTT
SCHEMBL3029687 0.79 LMNA (0.54) LMNAMAPTSMN1; SMN2HTTCHRM4
SCHEMBL3034260 0.77 CCR2 (0.52) HTTCHRM4TSHRPOLBL3MBTL1
SCHEMBL3038616 0.77 TACR1 (0.47) LMNASMN1; SMN2UBE2MDCUN1D1MEN1
SCHEMBL14221754 0.76 KDM4E (0.46) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL4978564 0.75 ALDH1A1 (0.60) LMNAMAPTSMN1; SMN2MAPK1HTT
SCHEMBL3043043 0.74 MEN1 (0.48) LMNASMN1; SMN2UBE2MDCUN1D1MEN1
SCHEMBL3041690 0.73 CCR2 (0.46) LMNASMN1; SMN2UBE2MDCUN1D1MEN1
SCHEMBL3038732 0.72 LMNA (0.58) LMNAMAPTSMN1; SMN2HTTMEN1
SCHEMBL13222942 0.72 KDM4E (0.59) LMNAMAPTSMN1; SMN2MAPK1HTT

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 disclosed
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 LMNA 2736/4885MAPT 3720/4885SMN1; SMN2 3522/4885

“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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