SCHEMBL4230463

SCHEMBL4230463

NC1c2cc(F)ccc2CCc2ncccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.45
▸ MAPK14 Q16539 2/20 0.38
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ KDM1A O60341 3/20 0.34
▸ KDM1B Q8NB78 1/20 0.34
▸ CYP11B2 P19099 2/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ PIN1 Q13526 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ TYMS P04818 1/20 0.33

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
SCHEMBL6386269 0.82 HTR2A (0.50) CYP2D6HTR2A
SCHEMBL6385703 0.77 CYP2D6 (0.40) CYP2D6MAPK14HTR2AHTR2CCYP11B2
SCHEMBL4238327 0.74 TYMS (0.37) CYP2D6KDM1AKDM1BCYP11B2HTR1A
SCHEMBL5941266 0.70 ANPEP (0.42) CYP2D6MAPK14TRPM8
SCHEMBL10415991 0.67 CYP2D6 (0.46) CYP2D6HTR2A
SCHEMBL6387798 0.67 MAPK14 (0.43) CYP2D6MAPK14CYP11B2TYMS
SCHEMBL6387801 0.67 MAPK14 (0.43) CYP2D6MAPK14CYP11B2TYMS
SCHEMBL6387885 0.67 MAPK14 (0.60) MAPK14TYMS
Hydrochloric Acid SCHEMBL10416486 0.66 CYP2D6 (0.45) CYP2D6HTR2ACYP11B2
SCHEMBL10415988 0.66 CYP2D6 (0.64) CYP2D6HTR1ASLC6A2SLC6A4

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-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 — — US disclosed
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 — — 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 CYP2D6 50/4885MAPK14 3850/4885HTR2A 1464/4885
US-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 CYP2D6 61/4885MAPK14 4334/4885HTR2A 282/4885

“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