SCHEMBL20669017

SCHEMBL20669017

N[C@H]1C[C@H](n2ccc3ccccc32)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
SLC6A4 P31645 1/20 0.49
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
MAOB P27338 1/20 0.40
CDK4 P11802 4/20 0.38
CCND1 P24385 4/20 0.38
SCD O00767 3/20 0.38
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
NOTUM Q6P988 1/20 0.34
HTR6 P50406 3/20 0.34
LMNA P02545 1/20 0.33
BIRC5 O15392 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
SCHEMBL19691088 0.84 DRD2 (0.55) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL30364138 0.84 DRD2 (0.55) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL12534041 0.81 DRD2 (0.49) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL29423860 0.80 DRD2 (0.63) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL367111 0.80 DRD2 (0.63) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL24109904 0.77 DRD2 (0.49) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL12605572 0.77 DRD2 (0.59) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL3640167 0.77 DRD2 (0.59) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL2424591 0.76 DRD2 (0.58) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL31091985 0.76 DRD2 (0.50) DRD2SLC6A4OPRM1OPRD1OPRK1

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-20190022071-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2019-01-24 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-20190022071-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS SMPD1, ELANE, SMPD2 DRD2 2728/4885SLC6A4 1603/4885OPRM1 1556/4885

“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.