SCHEMBL1127702

SCHEMBL1127702

NC(=O)C1(N2CCCCC2)CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.46
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C19 P33261 1/20 0.42
THRB P10828 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL6543859 1.00 ALDH1A1 (0.49) ALDH1A1TP53TSHRHTTPOLB
Hydrochloric Acid SCHEMBL6544280 0.98 ALDH1A1 (0.48) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL8177031 0.98 ALDH1A1 (0.46) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL6544388 0.94 ALDH1A1 (0.43) ALDH1A1TP53TSHRHTTPOLB
Formic Acid SCHEMBL3898988 0.93 ALDH1A1 (0.44) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL5200587 0.85 ALDH1A1 (0.42) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL28650457 0.84 ALDH1A1 (0.54) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL30562291 0.84 ALDH1A1 (0.54) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL10002524 0.84 ALDH1A1 (0.54) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL5633342 0.84 ALDH1A1 (0.54) ALDH1A1TP53TSHRHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140127326-A1 Detection of Cancer by Volatile Organic Compounds From Breath BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2014-05-08 US claimed
EP-2354133-B1 Method for producing 1-(3-Cyano-3,3-diphenylpropyl)-4-(1-piperidyl)-piperidine-4-carboxamide (Piritramide) HAMELN RDS GMBH (DE) 2013-12-11 EP claimed
WO-2012122128-A2 DETECTION OF CANCER BY VOLATILE ORGANIC COMPOUNDS FROM BREATH BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-09-13 WO claimed
EP-2354133-A1 Method for producing 1-(3-Cyano-3,3-diphenylpropyl)-4-(1-piperidyl)-piperidine-4-carboxamide (Piritramide) hameln rds gmbh (DE) 2011-08-10 EP claimed
EP-0739891-B1 Substituted heterocycles ASTRAZENECA AB (SE) 2005-01-19 EP claimed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 EP claimed
JP-58085882-A None JP disclosed
JP-5043577-A None JP disclosed
US-12552732-B2 Cyclopropanated sandalwood type compounds SYMRISE AG (DE) 2026-02-17 US disclosed
US-20250281661-A1 EMULSIONS FOR USE IN AIR FRESHENERS DEVICES SYMRISE AG (DE) 2025-09-11 US disclosed
EP-4347757-A1 FRAGRANCE FOR IMPROVING RELAXATION STATE AND METHOD OF ASSESSING Givaudan SA (CH) 2024-04-10 EP disclosed
WO-2024028513-A1 ODOR AND COLORANT STABILIZED COMPOSITIONS SYMRISE AG (DE) 2024-02-08 WO disclosed
WO-2024027931-A1 ODOR AND COLORANT STABILIZED COMPOSITIONS SYMRISE AG (DE) 2024-02-08 WO disclosed
US-5350743-A Treatment of osteoporosis KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-09-27 US disclosed
JP-H0543577-A PRODUCTION OF (+-)-2-OXO-2,3,5,6,7,8-HEXAHYDROIMIDAZO(1,2-A) PYRIDINE-3-SPIRO-4'-PIPERIDINE YOSHITOMI PHARMACEUT IND LTD 1993-02-23 JP disclosed
EP-0498424-A1 Bisphosphonic acid derivatives and bone resorption inhibitors containing them Kaken Pharmaceutical Co., Ltd. (JP) 1992-08-12 EP disclosed
EP-0073845-B1 IMIDAZOPYRIDINE-SPIRO-PIPERIDINE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1985-05-29 EP disclosed
JP-S5885882-A NOVEL DIBENZAZEPIN DERIVATIVE YOSHITOMI PHARMACEUT IND LTD 1983-05-23 JP disclosed
EP-0073845-A1 Imidazopyridine-spiro-piperidine compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1983-03-16 EP disclosed
US-4337260-A ANTIDEPRESSANT, SEDATIVE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1982-06-29 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-12552732-B2 Cyclopropanated sandalwood type compounds FAAH2, ADCY10, OR10J3 ALDH1A1 8/4885TP53 3907/4885TSHR 4658/4885

“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.