SCHEMBL15469503

SCHEMBL15469503

Cc1ccc([C@@]2(N)CCCc3cccnc32)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
TRPV1 Q8NER1 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM1A O60341 1/20 0.32
PDE2A O00408 2/20 0.31
PDE10A Q9Y233 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
F2 P00734 1/20 0.30
CXCR4 P61073 3/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL15469508 0.96 AKR1B10 (0.33) AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL15469510 0.93 AKR1B10 (0.34) AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL15469383 0.82 KDM1A (0.36) KDM1AALDH1A1CXCR4KDM4ESMN1; SMN2
SCHEMBL15467474 0.81 PDE2A (0.40) TRPV1PDE2A
SCHEMBL15467473 0.81 PDE2A (0.40) TRPV1PDE2A
SCHEMBL15469507 0.80 PDE4B (0.32) AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL15467429 0.77 SLC6A3 (0.38) TRPV1KDM1APDE2A
SCHEMBL15469386 0.77 TRPM8 (0.33) AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL15469414 0.77 TRPM8 (0.33) AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL15469504 0.76 TRPV1 (0.37) AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1

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-8952009-B2 Chroman derivatives as TRPM8 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC. (US) 2014-02-13 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-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 AKR1B10 3940/4885AKR1C4 4289/4885AKR1C3 4452/4885
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 AKR1B10 3940/4885AKR1C4 4289/4885AKR1C3 4452/4885

“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.