SCHEMBL841019

SCHEMBL841019

CC(C)C1CCCCN(C(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.35
CYP2D6 P10635 2/20 0.35
SHBG P04278 1/20 0.33
KDM1A O60341 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
ALDH1A1 P00352 1/20 0.32
OPRK1 P41145 1/20 0.30
KCNH2 Q12809 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
SCHEMBL24794287 0.98 SHBG (0.37) HRH3CYP2D6SHBGKDM1AOPRM1
SCHEMBL24792865 0.93 HRH3 (0.36) HRH3CYP2D6SHBGKDM1AOPRM1
SCHEMBL839914 0.93 KDM1A (0.33) HRH3CYP2D6SHBGKDM1AALDH1A1
SCHEMBL24793681 0.91 HRH3 (0.35) HRH3CYP2D6SHBGOPRM1OPRL1
SCHEMBL24303716 0.91 HRH3 (0.35) HRH3CYP2D6SHBGOPRM1OPRL1
SCHEMBL840364 0.89 HRH3 (0.34) HRH3CYP2D6KDM1AALDH1A1KCNH2
SCHEMBL408516 0.89 CHRNA7 (0.34) HRH3CYP2D6KDM1AALDH1A1KCNH2
SCHEMBL840274 0.83 KAT2B (0.33) HRH3CYP2D6
SCHEMBL26948792 0.80 DRD2 (0.35) HRH3CYP2D6KDM1AOPRM1OPRL1
SCHEMBL26948799 0.80 DRD2 (0.35) HRH3CYP2D6KDM1AOPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024015229-A1 PROTEASE/ENZYME CLEAVABLE LINKER-PAYLOADS AND PROTEIN CONJUGATES SUTRO BIOPHARMA, INC. (US) 2024-01-18 WO disclosed
US-20230364251-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES CIDARA THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS BIAL R&D INVEST S A (PT) 2022-12-22 US disclosed
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-8623903-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-01-07 US disclosed
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA (JP) 2012-06-07 US disclosed
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US disclosed
US-8143285-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-27 US disclosed
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-04-23 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 (5 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-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 HRH3 34/4885CYP2D6 451/4885SHBG 1441/4885
US-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS ASAH2, ASAH1, GBA1 HRH3 476/4885CYP2D6 2874/4885SHBG 4874/4885
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, CYSLTR1, CNR1 HRH3 13/4885CYP2D6 512/4885SHBG 3345/4885
US-20230364251-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES DNPEP, NPEPPS, DHFR HRH3 4395/4885CYP2D6 738/4885SHBG 1126/4885
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, CYSLTR1, CYSLTR2 HRH3 15/4885CYP2D6 498/4885SHBG 3047/4885

“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.