SCHEMBL17239582

SCHEMBL17239582

c1ccc(-c2ccn(C3CCOCC3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
AR P10275 1/20 0.40
PLAUR Q03405 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 3/20 0.37
HSD11B1 P28845 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL17239444 0.91 KMT2A (0.42) KMT2AARPLAURFAAHMGLL
SCHEMBL17239594 0.91 KMT2A (0.42) KMT2AARPLAURFAAHMGLL
SCHEMBL26108472 0.83 KMT2A (0.47) KMT2AARPLAURNPC1RAB9A
SCHEMBL29152983 0.83 KMT2A (0.47) KMT2AARPLAURNPC1RAB9A
SCHEMBL14639509 0.83 CNR2 (0.46) NPC1RAB9ATSHRMAPTMAPK1
SCHEMBL4503250 0.81 PLAUR (0.55) KMT2APLAURSIGMAR1CYP1A2CYP3A4
SCHEMBL12231386 0.76 ACACB (0.44) KMT2ANPSR1ALDH1A1DRD2DRD4
SCHEMBL17239552 0.75 PLAUR (0.47) KMT2APLAURCHRNB2CHRNA4
SCHEMBL17239476 0.75 PLAUR (0.47) KMT2APLAURCHRNB2CHRNA4
SCHEMBL29005556 0.75 CD274 (0.47) KMT2ANPC1RAB9ASMN1; SMN2TSHR

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
US-9328096-B2 Tropomyosin-related kinase inhibitors PFIZER INC. (US) 2016-05-03 US disclosed
US-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER (US) 2015-11-12 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-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS TPM3, MUSK, TPM4 KMT2A 3210/4885AR 864/4885PLAUR 838/4885

“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.