SCHEMBL515959

SCHEMBL515959

NC(=O)[C@]1([C@H]2CCc3ccccc3N2)CC[C@@H]1C(N)c1cccc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.35
OPRD1 P41143 10/20 0.35
OPRK1 P41145 10/20 0.35
OPRL1 P41146 10/20 0.35
RIPK1 Q13546 1/20 0.33
PYGL P06737 4/20 0.33
PYGM P11217 4/20 0.33
SMYD3 Q9H7B4 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32
TRPM8 Q7Z2W7 2/20 0.32

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
SCHEMBL515960 1.00 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1RIPK1
SCHEMBL515942 0.89 SMYD3 (0.36) SMYD3TRPM8
SCHEMBL515941 0.89 SMYD3 (0.36) SMYD3TRPM8
SCHEMBL516721 0.89 HTR1A (0.35) RIPK1SMYD3
SCHEMBL516720 0.89 HTR1A (0.35) RIPK1SMYD3
SCHEMBL516119 0.89 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1RIPK1
SCHEMBL516120 0.89 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1RIPK1
SCHEMBL515725 0.86 RIPK1 (0.35) RIPK1SMYD3
SCHEMBL515724 0.86 RIPK1 (0.35) RIPK1SMYD3
SCHEMBL516102 0.70 OPRL1 (0.40) OPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455550-B2 Derivatives of aminocyclobutane or aminocyclobutene, their method of preparation and their use as medical products PIERRE FABRE MEDICAMENT (FR) 2013-06-04 US claimed
EP-2414323-B1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PF MEDICAMENT (FR) 2013-03-13 EP claimed
US-20120029013-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PIERRE FABRE MEDICAMENT (FR) 2012-02-02 US claimed
US-8455550-B2 Derivatives of aminocyclobutane or aminocyclobutene, their method of preparation and their use as medical products PIERRE FABRE MEDICAMENT (FR) 2013-06-04 US disclosed
EP-2414323-B1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PF MEDICAMENT (FR) 2013-03-13 EP disclosed
US-20120029013-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PIERRE FABRE MEDICAMENT (FR) 2012-02-02 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-20120029013-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS CYP11B2, BCAT1, CYP11B1 OPRM1 338/4885OPRD1 186/4885OPRK1 288/4885

“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.