SCHEMBL18671891

SCHEMBL18671891

CCCCCCC(C)(CCCCCC)N(C)CCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 3/20 0.43
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FDPS P14324 7/20 0.36
▸ GGPS1 O95749 5/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ S1PR3 Q99500 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
SCHEMBL18671880 1.00 DNM1 (0.43) DNM1LMNAALDH1A1HSD17B10MEN1
SCHEMBL4596073 0.90 SMN1; SMN2 (0.36) DNM1LMNAALDH1A1HSD17B10MEN1
SCHEMBL21940892 0.87 DNM1 (0.50) DNM1TSHRFDPSGGPS1AGTR1
SCHEMBL24916182 0.85 DNM1 (0.48) DNM1TSHRFDPSGGPS1AGTR1
SCHEMBL24309469 0.82 DNM1 (0.56) DNM1ALDH1A1TSHRFDPSGGPS1
SCHEMBL19226492 0.80 DNM1 (0.43) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL21214490 0.80 DNM1 (0.43) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL19788363 0.80 DNM1 (0.54) DNM1ALDH1A1TSHRFDPSGGPS1
SCHEMBL22951461 0.79 DNM1 (0.44) DNM1TSHRFDPSGGPS1
SCHEMBL22420015 0.79 DNM1 (0.50) DNM1ALDH1A1TSHRFDPSGGPS1

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-9884043-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 — — US disclosed
US-20170340610-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME LLC 2017-11-30 — — US disclosed
US-9603838-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-28 — — 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-20170340610-A1 RORgammaT INHIBITORS RORB, RORC, RORA DNM1 3690/4885LMNA 4532/4885ALDH1A1 858/4885

“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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