SCHEMBL1677975

SCHEMBL1677975

CC(=O)CCc1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
FFAR1 O14842 1/20 0.49
LMNA P02545 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NAMPT P43490 1/20 0.44
NPY5R Q15761 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL17447470 0.88 ALDH1A1 (0.48) ALDH1A1FFAR1LOXL2TSHRNPC1
SCHEMBL10912165 0.84 ALDH1A1 (0.77) ALDH1A1FFAR1LMNANPC1RAB9A
SCHEMBL6573723 0.82 FFAR1 (0.52) FFAR1LMNALOXL2NPC1RAB9A
SCHEMBL9535757 0.82 LOXL2 (0.50) ALDH1A1FFAR1LMNALOXL2TSHR
SCHEMBL14889554 0.82 LOXL2 (0.47) ALDH1A1FFAR1LMNALOXL2TSHR
SCHEMBL18392033 0.81 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL333186 0.80 FFAR1 (0.70) ALDH1A1FFAR1LMNANPY5RTDP1
SCHEMBL7178176 0.79 IAPP (0.53) ALDH1A1FFAR1LMNALOXL2NPC1
SCHEMBL660683 0.78 LOXL2 (0.52) ALDH1A1FFAR1LMNALOXL2NPY5R
Hydrochloric Acid SCHEMBL8937697 0.78 FFAR1 (0.68) ALDH1A1FFAR1LMNANPY5RTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0116122-A1 4.4.4-Trichlor-1-pyridyl-but-2-en-1-one, their preparation and their use as fungicidal agent Consortium für elektrochemische Industrie GmbH (DE) 1984-08-22 EP claimed
WO-2024059472-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-21 WO disclosed
US-20230016922-A1 VISIBLE-LIGHT MEDIATED ORGANOPHOTOREDOX CATALYTIC DEUTERATION OF AROMATIC AND ALIPHATIC ALDEHYDES NATIONAL INSTITUTES OF HEALTH 2023-01-19 US disclosed
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 EP disclosed
EP-3103797-B1 2,5-DIOXOIMIDAZOLIDIN-1-YL-3-PHENYLUREA DERIVATIVES AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN INC (US) 2019-04-10 EP disclosed
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 EP disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US disclosed
EP-3103797-A1 2,5-DIOXOIMIDAZOLIDIN-1-YL-3-PHENYLUREA DERIVATIVES AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-12-14 EP disclosed
EP-2776403-B1 2,5-DIOXOIMIDAZOLIDIN-1-YL-3-PHENYLUREA DERIVATIVES AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN INC (US) 2016-09-14 EP disclosed
WO-2014154723-A1 NOVEL PYRROLE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 WO disclosed
US-4126618-A FLAVOR ADDITIVES FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1978-11-21 US disclosed
US-4085109-A Pyridine sulfur flavoring agents FIRMENICH & CIE (CH) 1978-04-18 US disclosed
US-4018910-A ACETYL- OR BENZOYL- PYRIDINE FIRMENICH & CIE (CH) 1977-04-19 US disclosed
US-3989713-A Pyrrylmethylthio flavoring agents FIRMENICH & CIE (CH) 1976-11-02 US disclosed
US-3952024-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3952026-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3943260-A TETRAHYDRO-THIO-PHEN-3-ONES FIRMENICH & CIE (CH) 1976-03-09 US disclosed
US-3931246-A FURYLALKYL-THIOETHERS FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931166-A FLAVORANTS FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931245-A FURYLALKYLTHIOL CARBOXYLATES FIRMENICH & CIE (CH) 1976-01-06 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 (2 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-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 ALDH1A1 359/4885FFAR1 181/4885LMNA 3683/4885
US-20230016922-A1 VISIBLE-LIGHT MEDIATED ORGANOPHOTOREDOX CATALYTIC DEUTERATION OF AROMATIC AND ALIPHATIC ALDEHYDES AOX1, TDO2, TALDO1 ALDH1A1 34/4885FFAR1 1743/4885LMNA 3175/4885

“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.