SCHEMBL19001322

SCHEMBL19001322

CCC(=O)NCCc1ccncn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ACACB O00763 1/20 0.42
NAMPT P43490 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX7 Q99572 1/20 0.39

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
SCHEMBL31036094 0.88 MEN1 (0.47) MTNR1AMTNR1BNAMPTRECQLMEN1
SCHEMBL19049445 0.84 ACACB (0.49) MTNR1AMTNR1BSMN1; SMN2ACACBNAMPT
SCHEMBL8819 0.84 NAMPT (0.52) SMN1; SMN2NAMPTMEN1KMT2AP2RX7
SCHEMBL18997764 0.81 POLB (0.45) SMN1; SMN2NAMPTMEN1KMT2AP2RX7
SCHEMBL23222311 0.80 KMT2A (0.44) MTNR1ASMN1; SMN2NAMPTRECQLMEN1
SCHEMBL21776424 0.80 NAMPT (0.38) SMN1; SMN2ACACBNAMPTKMT2AP2RX7
SCHEMBL18381372 0.80 SMN1; SMN2 (0.50) SMN1; SMN2
SCHEMBL2093615 0.79 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2A
SCHEMBL20805616 0.78 NAMPT (0.37) SMN1; SMN2NAMPTP2RX7
SCHEMBL19001317 0.77 MTNR1A (0.44) MTNR1AMTNR1BSMN1; SMN2ACACBRECQL

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
EP-3402785-B1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-02-26 EP disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 MTNR1A 1704/4885MTNR1B 1599/4885SMN1; SMN2 4331/4885

“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.