SCHEMBL21788683

SCHEMBL21788683

CC(C)N1C(=O)C2(CCNCC2)C1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.37
OPRK1 P41145 1/20 0.36
HSD17B10 Q99714 1/20 0.35
SLC6A9 P48067 1/20 0.34
OPRM1 P35372 1/20 0.34
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
USP2 O75604 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
HTR4 Q13639 1/20 0.33
CYP2C19 P33261 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
SCHEMBL14263431 0.86 CACNA1H (0.37) OPRK1
SCHEMBL17888239 0.81 OPRK1 (0.38) TRPV1OPRK1HSD17B10OPRM1SLC18A3
SCHEMBL17886562 0.78 TRPV1 (0.36) TRPV1OPRK1HSD17B10OPRM1SLC18A3
SCHEMBL21078095 0.78 HSD17B10 (0.37) TRPV1HSD17B10OPRM1SLC18A3SIGMAR1
SCHEMBL8202443 0.77 TRPV1 (0.49) TRPV1HSD17B10USP2CYP3A4CYP2D6
SCHEMBL8200179 0.74 TSHR (0.47) TRPV1TSHR
SCHEMBL26822303 0.70 GRIN1 (0.44) HSD17B10MAPT
SCHEMBL24621328 0.70 TSHR (0.40) HSD17B10OPRM1SLC18A3SIGMAR1USP2
SCHEMBL8212506 0.69 ALDH1A1 (0.43) TRPV1HSD17B10MAPT
SCHEMBL18746129 0.66 MAPT (0.42) HSD17B10OPRM1SLC18A3SIGMAR1USP2

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-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA TRPV1 2479/4885OPRK1 2534/4885HSD17B10 2979/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA TRPV1 2479/4885OPRK1 2534/4885HSD17B10 2979/4885

“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.