SCHEMBL16648702

SCHEMBL16648702

CCN(C(=O)c1cc(C)ccc1-c1ncccn1)[C@@H](C)Cc1noc(-c2ccc(F)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 1.00
HCRTR2 O43614 19/20 1.00
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL16648754 0.94 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16648643 0.91 HCRTR1 (0.87) HCRTR1HCRTR2
SCHEMBL16648745 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16648657 0.90 HCRTR1 (0.81) HCRTR1HCRTR2NPC1TP53RAB9A
SCHEMBL16648512 0.89 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16648487 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL15519767 0.83 HCRTR1 (0.71) HCRTR1HCRTR2NPC1TP53RAB9A
SCHEMBL16648714 0.79 HCRTR1 (0.82) HCRTR1HCRTR2
SCHEMBL16648510 0.78 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16648525 0.78 HCRTR1 (1.00) HCRTR1HCRTR2

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-20150166523-A1 BRANCHED CHAIN ALKYL HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US claimed
EP-2862855-A1 BRANCHED CHAIN ALKYL HETEROAROMATIC RING DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2015-04-22 EP claimed
US-20150166523-A1 BRANCHED CHAIN ALKYL HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
US-20150166523-A1 BRANCHED CHAIN ALKYL HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
US-20150166523-A1 BRANCHED CHAIN ALKYL HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
EP-2862855-A1 BRANCHED CHAIN ALKYL HETEROAROMATIC RING DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2015-04-22 EP 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-20150166523-A1 BRANCHED CHAIN ALKYL HETEROAROMATIC RING DERIVATIVE HCRTR2, HCRTR1, HTR2B HCRTR1 2/4885HCRTR2 1/4885NPC1 912/4885

“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.