SCHEMBL40033

SCHEMBL40033

COC(=O)C1CCCCN1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
PRCP P42785 1/20 0.40
SLC6A3 Q01959 4/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 1/20 0.40
DHFR P00374 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL40034 1.00 CYP3A4 (0.46) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
SCHEMBL134643 1.00 CYP3A4 (0.46) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
SCHEMBL15384851 0.98 CYP3A4 (0.45) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
Hydrochloric Acid SCHEMBL132158 0.98 TSHR (0.45) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
SCHEMBL17919051 0.98 CYP3A4 (0.45) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
SCHEMBL1688457 0.98 CYP3A4 (0.45) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
Hydrochloric Acid SCHEMBL134642 0.98 TSHR (0.45) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
Hydrochloric Acid SCHEMBL1899822 0.98 TSHR (0.45) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
SCHEMBL16946146 0.98 CYP3A4 (0.45) CYP3A4CYP2D6TSHRCYP2C9CYP1A2
Hydrochloric Acid SCHEMBL15206077 0.96 TSHR (0.44) CYP3A4CYP2D6TSHRCYP2C9CYP1A2

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 586 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3967714-B1 VINYL ALCOHOL-AMINO ACID ESTER COPOLYMER, THEIR PREPARATION AND USES SEKISUI CHEMICAL CO LTD (JP) 2026-01-07 EP claimed
US-11753378-B2 Ketamine compounds and processes for making and using them ZEVRA THERAPEUTICS, INC. (US) 2023-09-12 US claimed
US-20220348544-A1 KETAMINE COMPOUNDS AND PROCESSES FOR MAKING AND USING THEM ALTER DOMUS (US) LLC 2022-11-03 US claimed
CN-112010855-B Hexacyclic piperazinedione compounds, preparation, biological activity and application thereof 首都医科大学 2021-06-08 CN claimed
CN-112010855-A Hexacyclic piperazinedione compounds, preparation, biological activity and application thereof 首都医科大学 2020-12-01 CN claimed
CN-105555783-B Include the autotaxin inhibitors of heteroaromatic rings benzyl amide ring core 诺华股份有限公司 2017-12-01 CN claimed
CN-105555783-A Autotaxin inhibitors comprising a heteroaromatic ring-benzyl-amide-cycle core NOVARTIS AG 2016-05-04 CN claimed
CN-104086479-B 5-((2-carboxypiperidin-1-base) methyl) m-phthalic acid and synthetic method thereof and application TIANJIN PUMAO SCIENCE & TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2016-01-20 CN claimed
CN-104086479-A 5-((2-carboxypiperidin-1-yl)methyl)isophthalic acid as well as synthetic method and application thereof TIANJIN PUMAO SCIENCE & TECHNOLOGY DEV CO LTD 2014-10-08 CN claimed
CN-101679384-B Amide derivatives for inhibiting cancer cell growth HANMI PHARM IND CO LTD 2013-10-16 CN claimed
CN-102186851-B Triazolopyridine compounds as pim kinase inhibitors ARRAY BIOPHARMA INC 2013-06-12 CN claimed
CN-1665801-B Anti tubercular drug: compositions and methods DEPT OF HEALTH AND HUMAN SERVI 2011-05-11 CN claimed
CN-101679384-A Novel amide derivatives for inhibiting the growth of cancer cells HANMI PHARM IND CO LTD 2010-03-24 CN claimed
EP-1948167-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP claimed
US-20070232559-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-10-04 US claimed
WO-2007045980-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO claimed
CN-1738805-A N- (1-benzyl-2-oxo-2- (1-piperazinyl) ethyl) -1-piperidincarboxamid-derivatives and related compounds use as CGRP-antagonists for treating a headache BOEHRINGER INGELHEIM INT (DE) 2006-02-22 CN claimed
US-4493828-A Use of thyrotropin releasing hormone and related peptides as poultry growth promotants MERCK & CO., INC. (US) 1985-01-15 US claimed
EP-3483142-B1 AROMATIC ACETYLENE OR AROMATIC ETHYLENE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF BEIJING MAXINOVEL PHARMACEUTICALS CO LTD (CN) 2025-10-15 EP disclosed
US-3984419-A HYPOTENSIVES E. R. SQUIBB & SONS, INC. (US) 1976-10-05 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 (3 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-11753378-B2 Ketamine compounds and processes for making and using them OPRK1, GRIK3, GRIN3B CYP3A4 1618/4885CYP2D6 425/4885TSHR 4770/4885
US-20070232559-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 CYP3A4 1117/4885CYP2D6 1452/4885TSHR 203/4885
US-20220348544-A1 KETAMINE COMPOUNDS AND PROCESSES FOR MAKING AND USING THEM OPRK1, GRIK3, GRIN3B CYP3A4 1618/4885CYP2D6 425/4885TSHR 4770/4885

“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.