SCHEMBL17335643

SCHEMBL17335643

CCC(=O)NC1Cc2cccc(OC)c2C1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.81
MTNR1B P49286 9/20 0.81
CYP1A2 P05177 1/20 0.81
MAPT P10636 1/20 0.81
CYP2C9 P11712 1/20 0.81
ALOX15 P16050 1/20 0.81
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ACHE P22303 1/20 0.55

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
SCHEMBL55299 0.90 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL2597485 0.88 MTNR1A (0.84) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL30089783 0.88 MTNR1A (0.84) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL2351965 0.88 MTNR1A (0.84) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9496504 0.86 MTNR1A (0.67) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL7599844 0.80 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL7596840 0.80 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL55609 0.80 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL7599847 0.80 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL6359193 0.79 MTNR1A (0.79) MTNR1AMTNR1BCYP1A2MAPTCYP2C9

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-9884814-B2 Acylguanidines for treating osteoarthritis MERCK PATENT GMBH (DE) 2018-02-06 US disclosed
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-17 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-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS CTSG, CTSD, CTSB MTNR1A 348/4885MTNR1B 225/4885CYP1A2 2055/4885

“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.