SCHEMBL14004749

SCHEMBL14004749

CC(C)Cc1ccc(NCCN)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ CXCR1 P25024 3/20 0.39
▸ CXCR2 P25025 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ PTH1R Q03431 1/20 0.38
▸ PTGS1 P23219 4/20 0.38
▸ PTGS2 P35354 4/20 0.38

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
SCHEMBL24196455 0.81 FAAH (0.46) EPHX1MAPTSMN1; SMN2GAACRHBP
SCHEMBL27421353 0.79 SMN1; SMN2 (0.41) MAPTSMN1; SMN2GAACRHBPCRHR2
SCHEMBL20715472 0.78 ABL1 (0.44) EPHX1MAPTSMN1; SMN2GAACRHBP
SCHEMBL26769169 0.78 ALDH1A1 (0.50) EPHX1MAPTSMN1; SMN2GAACRHBP
SCHEMBL12298580 0.78 MAPT (0.42) EPHX1MAPTSMN1; SMN2GAACRHBP
SCHEMBL10810619 0.78 TAAR1 (0.52) MAPTGAAALDH1A1LMNABLM
SCHEMBL26648429 0.77 ITGB3 (0.46) MEN1KMT2A
SCHEMBL9320348 0.77 MAPT (0.41) MAPTSMN1; SMN2GAAALDH1A1LMNA
SCHEMBL28134712 0.77 LOXL2 (0.48) MAPTALDH1A1CA12CA4CA9
SCHEMBL4409856 0.76 STK17B (0.43) EPHX1MAPTSMN1; SMN2GAAALDH1A1

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-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 — — US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 — — 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 EPHX1 770/4885MAPT 4253/4885SMN1; SMN2 4829/4885

“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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