SCHEMBL2685545

SCHEMBL2685545

Cc1cnc(NC[C@@H]2CC3(CCN2C(=O)OC(C)(C)C)CC3)nc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.41
NAMPT P43490 10/20 0.38
ACACB O00763 1/20 0.38
KDM1A O60341 1/20 0.37
CYP3A4 P08684 2/20 0.36
PRMT5 O14744 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
SCHEMBL2685544 1.00 HCRTR1 (0.41) HCRTR1NAMPTACACBKDM1ACYP3A4
SCHEMBL2688235 0.91 HCRTR1 (0.38) HCRTR1NAMPTACACBKDM1ACYP3A4
SCHEMBL2688236 0.91 HCRTR1 (0.38) HCRTR1NAMPTACACBKDM1ACYP3A4
SCHEMBL2688280 0.85 CYP3A4 (0.50) NAMPTACACBKDM1ACYP3A4PRMT5
SCHEMBL2688278 0.85 CYP3A4 (0.50) NAMPTACACBKDM1ACYP3A4PRMT5
SCHEMBL2685111 0.84 CYP3A4 (0.42) HCRTR1NAMPTACACBKDM1ACYP3A4
SCHEMBL2685109 0.84 CYP3A4 (0.42) HCRTR1NAMPTACACBKDM1ACYP3A4
SCHEMBL2686484 0.82 CYP3A4 (0.40) NAMPTACACBKDM1ACYP3A4PRMT5
SCHEMBL2686483 0.82 CYP3A4 (0.40) NAMPTACACBKDM1ACYP3A4PRMT5
SCHEMBL935329 0.81 HCRTR1 (0.39) HCRTR1CYP3A4

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
EP-2454252-B1 Spiro amino compounds suitable for the treatment of (inter alia) sleep disorders and drug addiction Rottapharm Biotech Srl (IT) 2015-03-04 EP disclosed
US-8859608-B2 Spiro amino compounds suitable for the treatment of inter alia sleep disorders and drug addiction ROTTAPHARM BIOTECH S.R.L. (IT) 2014-10-14 US disclosed
US-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM BIOTECH S.R.L. (IT) 2012-05-10 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-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION SLC1A1, SLC6A3, SLC1A2 HCRTR1 15/4885NAMPT 1643/4885ACACB 1658/4885

“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.