SCHEMBL22918240

SCHEMBL22918240

CC(C)c1ccc(C2CC3CC(C2)N3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
ALDH1A1 P00352 3/20 0.41
ADRB2 P07550 1/20 0.40
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
MGLL Q99685 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL1335688 0.92 SLC6A4 (0.42) HPGDALDH1A1ADRB2CHRNB2CHRNA4
SCHEMBL1335690 0.92 SLC6A4 (0.42) HPGDALDH1A1ADRB2CHRNB2CHRNA4
SCHEMBL26938558 0.82 HPGD (0.42) HPGDALDH1A1ADRB2CHRNB2CHRNA4
SCHEMBL29273461 0.76 HPGD (0.50) HPGDALDH1A1ADRB2CHRNB2CHRNA4
SCHEMBL21026523 0.75 CHRNB2 (0.46) HPGDALDH1A1CHRNB2CHRNA4CHRM2
SCHEMBL23857887 0.74 ADRB2 (0.49) HPGDALDH1A1ADRB2CHRNB2CHRNA4
SCHEMBL22854121 0.73 HPGD (0.41) HPGDALDH1A1ADRB2CHRNB2CHRNA4
SCHEMBL4672383 0.72 SLC18A3 (0.55) HPGDTDP1SLC6A2SLC6A4
SCHEMBL18253201 0.71 HPGD (0.46) HPGDALDH1A1ADRB2CHRNB2CHRNA4
SCHEMBL11213083 0.71 HPGD (0.50) HPGDALDH1A1HTTTDP1SLC6A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-01-28 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-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS P2RY14, P2RY4, P2RY13 HPGD 440/4885ALDH1A1 2346/4885ADRB2 361/4885

“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.