SCHEMBL18893317

SCHEMBL18893317

CC(C)NC(=O)c1ccc(NC(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.58
▸ ALDH1A1 P00352 6/20 0.53
▸ LMNA P02545 4/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ MAPT P10636 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ NAMPT P43490 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ HPGD P15428 1/20 0.46
▸ ACLY P53396 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HTT P42858 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ ACACB O00763 1/20 0.44
▸ CYP3A4 P08684 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
SCHEMBL23786313 0.93 NPC1 (0.55) MLYCDALDH1A1LMNAALOX15CYP1A2
SCHEMBL8590217 0.87 MLYCD (0.70) MLYCDALDH1A1LMNAALOX15CYP1A2
SCHEMBL5502887 0.85 CACNA1B (0.61) MLYCDALDH1A1LMNAALOX15CYP1A2
SCHEMBL19605414 0.84 HDAC6 (0.56) ALOX15RXFP1HSD17B10HDAC4
SCHEMBL13761376 0.84 MLYCD (0.58) MLYCDALDH1A1LMNAALOX15CYP1A2
SCHEMBL960823 0.82 CYP3A4 (0.53) ALDH1A1LMNAALOX15CYP1A2CYP2C19
SCHEMBL10052242 0.81 MLYCD (0.63) MLYCDALDH1A1LMNAALOX15CYP1A2
SCHEMBL194039 0.81 RXFP1 (0.53) ALDH1A1LMNAALOX15MAPTMEN1
SCHEMBL11955708 0.80 MEN1 (0.56) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL10294128 0.79 MLYCD (0.57) MLYCDALDH1A1LMNAALOX15CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 — — 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-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 MLYCD 4268/4885ALDH1A1 2561/4885LMNA 2143/4885

“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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