SCHEMBL4016063

SCHEMBL4016063

CC1(C)CC(CC(=O)O)CC(C)(C)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A12 P48065 5/20 0.41
SLC6A11 P48066 5/20 0.41
SLC6A13 Q9NSD5 5/20 0.41
SLC6A1 P30531 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRA4 P48169 1/20 0.41
GAA P10253 2/20 0.40
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.37
GRM2 Q14416 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM5 P41594 1/20 0.36

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
Hydrochloric Acid SCHEMBL20211958 0.98 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19SLC6A12
SCHEMBL3022031 0.84 GAA (0.41) GAAHTTTSHRKDM4EKMT2A
SCHEMBL18027950 0.83 GAA (0.40) GAAHTTTSHRKDM4EKMT2A
SCHEMBL17945925 0.81 GAA (0.42) GAAHTTTSHRKDM4EKMT2A
SCHEMBL2092261 0.81 GAA (0.39) GAAHTTTSHRKDM4EKMT2A
SCHEMBL208074 0.80 GAA (0.36) CYP1A2CYP2D6CYP2C9CYP2C19GAA
SCHEMBL17709929 0.79 APLNR (0.48) CYP1A2CYP2D6CYP2C9CYP2C19SLC6A12
SCHEMBL20572948 0.79 SLC6A12 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19SLC6A12
SCHEMBL15641898 0.79 GAA (0.38) GAAHTTTSHRKDM4EKMT2A
SCHEMBL15231650 0.77 SLC6A12 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19SLC6A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025098509-A1 PYRROLIDINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF IN MEDICINE 康百达(四川)生物医药科技有限公司 2025-05-15 WO disclosed
EP-4227304-A2 THIADIAZOLE ANALOGS AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH A DEFICIENCY OF SMN MOTOR NEURONS Novartis AG (CH) 2023-08-16 EP disclosed
EP-3736271-B1 THIADIAZOLE ANALOGS AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH A DEFICIENCY OF SMN MOTOR NEURONS NOVARTIS AG (CH) 2023-03-08 EP disclosed
EP-3736271-A1 THIADIAZOLE ANALOGS AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH A DEFICIENCY OF SMN MOTOR NEURONS Novartis AG (CH) 2020-11-11 EP disclosed
EP-2948448-B1 THIADIAZOLE ANALOGS AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH A DEFICIENCY OF SMN MOTOR NEURONS NOVARTIS AG (CH) 2020-01-08 EP disclosed
EP-2948448-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS Novartis AG (CH) 2015-12-02 EP disclosed
US-20150218175-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS NOVARTIS AG (CH) 2015-08-06 US disclosed
US-9040712-B2 Thiadiazole analogs thereof and methods for treating SMN-deficiency-related-conditions NOVARTIS AG (CH) 2015-05-26 US disclosed
WO-2014116845-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS NOVARTIS AG (CH) 2014-07-31 WO disclosed
US-20140206661-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS NOVARTIS AG (CH) 2014-07-24 US disclosed
EP-1263856-A1 STABILIZER COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 2002-12-11 EP disclosed
EP-1042399-B1 USE OF STERICALLY HINDERED AMINES OR STABILISED ETHYLENE POLYMERS IN THE PRODUCTION OF PLASTIC BODIES FOR STORAGE AND TRANSPORT OF VEGETABLE OIL ESTERS BASELL POLYOLEFINE GMBH (DE) 2002-07-17 EP disclosed
WO-2001057122-A1 STABILIZER COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 2001-08-09 WO disclosed
EP-1042399-A1 USE OF STERICALLY HINDERED AMINES OR STABILISED ETHYLENE POLYMERS IN THE PRODUCTION OF PLASTIC BODIES FOR STORAGE AND TRANSPORT OF VEGETABLE OIL ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-10-11 EP disclosed
WO-2000026189-A1 METHOD FOR PRODUCING NITROXYL COMPOUNDS OF SECONDARY AMINES BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed
WO-1999032549-A1 USE OF STERICALLY HINDERED AMINES OR STABILISED ETHYLENE POLYMERS IN THE PRODUCTION OF PLASTIC BODIES FOR STORAGE AND TRANSPORT OF VEGETABLE OIL ESTERS BASF AKTIENGESELLSCHAFT (DE) 1999-07-01 WO disclosed
US-4396735-A N-HETEROCYCLIC COMPOUND AND A HETEROCYCLIC ACID HYDRAZIDE ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1983-08-02 US disclosed
US-4256627-A COMPRISING COMPLEXES OF POLYMERS HAVING UNITS CONTAINING ALKYLPIPERIDINE GROUPS AND NICKEL OR COBALT CARBOXYLATES OR ENOLATES CIBA-GEIGY CORPORATION (US) 1981-03-17 US disclosed
EP-0001840-A2 Stabilising mixtures, process for stabilising synthetic materials against light with these mixtures and synthetic materials so stabilised CIBA-GEIGY AG (CH) 1979-05-16 EP disclosed
US-3937711-A POLYMERIC STABILIZERS, POLYOLEFINS CIBA-GEIGY CORPORATION (US) 1976-02-10 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-20150218175-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS SMN1; SMN2, SF3B5, SF3B1 CYP1A2 1612/4885CYP2D6 2093/4885CYP2C9 1936/4885
US-20140206661-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS SMN1; SMN2, SF3B5, SF3B1 CYP1A2 1612/4885CYP2D6 2093/4885CYP2C9 1936/4885

“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.