SCHEMBL1961905

SCHEMBL1961905

CC1CCCN(C2CCNCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 12/20 0.36
ALDH1A1 P00352 2/20 0.35
HTR6 P50406 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL16823762 1.00 ADRA1A (0.36) ADRA1AALDH1A1HTR6L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL5912788 0.98 ALDH1A1 (0.38) ADRA1AALDH1A1HTR6L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL16827275 0.98 ALDH1A1 (0.38) ADRA1AALDH1A1HTR6L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL29877044 0.98 ALDH1A1 (0.38) ADRA1AALDH1A1HTR6L3MBTL3L3MBTL1
SCHEMBL24183458 0.94 HTR6 (0.35) ADRA1AALDH1A1HTR6L3MBTL3L3MBTL1
SCHEMBL18427060 0.94 HTR6 (0.35) ADRA1AALDH1A1HTR6L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL28842926 0.93 ALDH1A1 (0.35) ADRA1AALDH1A1HTR6L3MBTL3L3MBTL1
SCHEMBL23482908 0.89 HTR6 (0.48) ADRA1AALDH1A1HTR6LMNAKDM4E
SCHEMBL23507346 0.88 KDM4E (0.32) KDM4E
SCHEMBL23252499 0.88 KDM4E (0.32) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116057057-A Conjugates of alpha 2-adrenoceptor subtype C (alpha-2C) antagonists and TASK1/3 channel blockers for the treatment of sleep apnea 拜耳公司 2023-05-02 CN disclosed
EP-3044218-B1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS UNIV TEXAS (US) 2020-05-27 EP disclosed
US-10577344-B2 Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-03-03 US disclosed
US-20190135776-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
US-9856233-B2 Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-01-02 US disclosed
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
EP-3083594-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
CN-106029648-A Substituted bipiperidinyl derivatives as adrenergic receptor alpha 2C antagonists 拜耳制药股份公司 2016-10-12 CN disclosed
EP-3044218-A2 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS Board Of Regents Of the University Of Texas System (US) 2016-07-20 EP disclosed
US-20150232444-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-08-20 US disclosed
WO-2015091415-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
US-8283360-B2 Bicyclic heterocyclic derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2012-10-09 US disclosed
US-20110319434-A1 Bicyclic Heterocyclic Derivatives and Methods of Use Thereof SCHERING PLOUGH CORPORATION (US) 2011-12-29 US disclosed
US-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-06-16 US disclosed
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists CARLING WILLIAM ROBERT 2009-02-26 US disclosed
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists CARLING WILLIAM ROBERT 2009-02-26 US disclosed
US-20060194811-A1 Pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-08-31 US disclosed
EP-1595869-A1 PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-11-16 EP 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 (8 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-20150232444-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS APC, VHL, TP53 ADRA1A 4675/4885ALDH1A1 4595/4885HTR6 3112/4885
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES TNNI3, TNNC1, FABP3 ADRA1A 1241/4885ALDH1A1 3111/4885HTR6 1380/4885
US-20190135776-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS APC, VHL, TP53 ADRA1A 4675/4885ALDH1A1 4595/4885HTR6 3112/4885
US-20060194811-A1 Pyrimidine derivatives ADORA3, NR4A1, NR0B1 ADRA1A 43/4885ALDH1A1 1991/4885HTR6 75/4885
US-20110319434-A1 Bicyclic Heterocyclic Derivatives and Methods of Use Thereof GPR119, GID4, TLR4 ADRA1A 870/4885ALDH1A1 1161/4885HTR6 350/4885
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists TACR2, TACR3, NPY2R ADRA1A 225/4885ALDH1A1 2836/4885HTR6 403/4885
US-10577344-B2 Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins APC, VHL, TP53 ADRA1A 4675/4885ALDH1A1 4595/4885HTR6 3112/4885
US-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA G6PD, DHFR, SGMS1 ADRA1A 3251/4885ALDH1A1 1547/4885HTR6 4123/4885

“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.