SCHEMBL15519053

SCHEMBL15519053

O=C(NCCc1cnn(-c2ccc(F)cn2)c1)c1ccccc1-n1nccn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 12/20 0.48
HCRTR1 O43613 11/20 0.48
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ADRB3 P13945 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
SCHEMBL15519443 0.87 HCRTR1 (0.60) HCRTR2HCRTR1
SCHEMBL15520018 0.80 HCRTR1 (0.58) HCRTR2HCRTR1
SCHEMBL15520281 0.76 HCRTR2 (0.53) HCRTR2HCRTR1
SCHEMBL15519928 0.74 HCRTR1 (0.47) HCRTR2HCRTR1
SCHEMBL15519822 0.72 TNKS (0.46) HCRTR2HCRTR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL15519901 0.72 HCRTR1 (0.61) HCRTR2HCRTR1
SCHEMBL15519621 0.71 HCRTR1 (0.43) HCRTR2HCRTR1POLBSMN1; SMN2NPC1
SCHEMBL16648633 0.71 HCRTR1 (0.61) HCRTR2HCRTR1
SCHEMBL15519358 0.71 HCRTR1 (0.60) HCRTR2HCRTR1ALDH1A1SMN1; SMN2
SCHEMBL15519808 0.70 HCRTR1 (0.62) HCRTR2HCRTR1

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
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 US disclosed
EP-2708537-A1 HETEROAROMATIC RING DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-03-19 EP disclosed
US-20090036357-A1 Azapeptide derivatives CONCERT PHARMACEUTICALS, INC. (US) 2009-02-05 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 (2 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-20090036357-A1 Azapeptide derivatives SAMHD1, ENTPD5, DNPEP HCRTR2 4556/4885HCRTR1 4505/4885POLB 1449/4885
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE HCRTR2, HCRTR1, HTT HCRTR2 1/4885HCRTR1 2/4885POLB 3638/4885

“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.