SCHEMBL17806353

SCHEMBL17806353

CC(C)N(Cc1ccccc1)c1ccc(-c2cnn(C)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.45
▸ EPHB4 P54760 2/20 0.45
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ S1PR1 P21453 1/20 0.42
▸ FGFR1 P11362 1/20 0.41
▸ FGFR2 P21802 1/20 0.41
▸ FGFR4 P22455 1/20 0.41
▸ FGFR3 P22607 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.40
▸ EP300 Q09472 5/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ TEK Q02763 1/20 0.39
▸ NAAA Q02083 1/20 0.39
▸ CREBBP Q92793 1/20 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
SCHEMBL17809759 0.82 KDR (0.48) KDREPHB4CHRM1CHRM3FGFR1
SCHEMBL17806361 0.82 CHRM1 (0.40) KDREPHB4CHRM1CHRM3FGFR1
SCHEMBL19369153 0.80 TSHR (0.55) KDREPHB4CHRM1CHRM3FGFR1
SCHEMBL17806218 0.79 NAAA (0.45) KDREPHB4CHRM1CHRM3EP300
SCHEMBL17806220 0.77 CCNC (0.40) KDRCHRM1CHRM3FGFR1FGFR2
SCHEMBL19625615 0.77 CHRM1 (0.37) KDREPHB4CHRM1CHRM3TEK
SCHEMBL19368989 0.76 SCD (0.36) KDREPHB4CHRM1CHRM3S1PR1
SCHEMBL627250 0.74 TAAR1 (0.53) S1PR1TAAR1
SCHEMBL17809768 0.74 KDR (0.47) KDREPHB4CHRM1CHRM3FGFR1
SCHEMBL17806210 0.74 MKNK1 (0.41) KDREPHB4CHRM1CHRM3FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 — — US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — 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 (2 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 KDR 2268/4885EPHB4 3078/4885CHRM1 1855/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 KDR 2268/4885EPHB4 3078/4885CHRM1 1855/4885

“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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