SCHEMBL20375692

SCHEMBL20375692

CC(C)N1CCC2(CC1)CN(C(C)CCC(C)N1CC3(CCN(C(C)C)CC3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
HRH3 Q9Y5N1 3/20 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
SCHEMBL26328605 0.96 CYP2D6 (0.34) CYP2D6HRH3
SCHEMBL22918414 0.96 CYP2D6 (0.34) CYP2D6HRH3
SCHEMBL22645245 0.92 CYP2D6 (0.36) CYP2D6HRH3
SCHEMBL20375693 0.90 CYP2D6 (0.33) CYP2D6HRH3
SCHEMBL24735238 0.90 CYP2D6 (0.30) CYP2D6
SCHEMBL22645192 0.85 HRH3 (0.30) HRH3
SCHEMBL23551954 0.85 HRH3 (0.33) HRH3
SCHEMBL10111448 0.84 CYP2D6 (0.42) CYP2D6HRH3
SCHEMBL10111441 0.82 CYP2D6 (0.39) CYP2D6HRH3
SCHEMBL24941850 0.82 CYP2D6 (0.35) CYP2D6HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127586-A1 PROTEIN TYROSINE PHOSPHATASE DEGRADERS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2021-06-24 WO disclosed
US-11040972-B2 Autotaxin inhibitors and uses thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-06-22 US disclosed
US-10973810-B2 Methods for the treatment of neurological disorders YUMANITY THERAPEUTICS, INC. (US) 2021-04-13 US disclosed
US-20200354357-A1 AUTOTAXIN INHIBITORS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2020-11-12 US disclosed
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2018-07-12 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 (4 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-10973810-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC CYP2D6 1415/4885HRH3 1453/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC CYP2D6 1415/4885HRH3 1453/4885
US-11040972-B2 Autotaxin inhibitors and uses thereof ENPP2, SERPINB1, RNASE1 CYP2D6 4700/4885HRH3 3021/4885
US-20200354357-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, RNASE1 CYP2D6 4700/4885HRH3 3021/4885

“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.