SCHEMBL17486946

SCHEMBL17486946

CCn1c2c(c3cccnc31)CCNC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR6 P50406 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ENPP2 Q13822 9/20 0.36
▸ HTR5A P47898 1/20 0.36
▸ NISCH Q9Y2I1 1/20 0.36
▸ NR2E1 Q9Y466 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 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
SCHEMBL968115 0.82 HTR2A (0.47) HTR2AHTR2CHTR6KDM4EALOX15
SCHEMBL19271273 0.80 DDB1 (0.46) HTR2AHTR2CHTR6KDM4EMAPK1
SCHEMBL17489603 0.79 HTR6 (0.39) HDAC1HDAC6HTR2AHTR2CHTR6
SCHEMBL14891192 0.78 ENPP2 (0.57) HTR2AHTR6KDM4EENPP2
Hydrochloric Acid SCHEMBL14891041 0.78 ENPP2 (0.56) HTR2AHTR6KDM4EENPP2
SCHEMBL9615137 0.77 HTR2A (0.55) HDAC1HDAC6HTR2AHTR2CHTR6
SCHEMBL26017343 0.77 HRH1 (0.45) HTR6KDM4EENPP2HTR5A
Hydrochloric Acid SCHEMBL9696491 0.76 KDM4E (0.56) HDAC1HDAC6HTR2AHTR2CHTR6
SCHEMBL17486945 0.76 ENPP2 (0.46) HDAC1HDAC6HTR6KDM4EENPP2
SCHEMBL26347704 0.75 HDAC1 (0.39) HDAC1HDAC6KDM4EHSD17B10HTR5A

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-9862721-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-01-09 — — US disclosed
US-9353113-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-31 — — US disclosed
US-20160031884-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2016-02-04 — — 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-20160031884-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 HDAC1 1652/4885HDAC6 1626/4885HTR2A 1208/4885

“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.

Send feedback