SCHEMBL23203

SCHEMBL23203

C1CCC2C[N]CCC2C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL7853217 1.00 ALDH1A1 (0.47) ALDH1A1NOS3NOS1NOS2
SCHEMBL9047778 1.00 ALDH1A1 (0.47) ALDH1A1NOS3NOS1NOS2
SCHEMBL3242094 1.00 ALDH1A1 (0.47) ALDH1A1NOS3NOS1NOS2
SCHEMBL1775895 1.00 ALDH1A1 (0.47) ALDH1A1NOS3NOS1NOS2
SCHEMBL1366434 0.97 ALDH1A1 (0.44) ALDH1A1NOS3NOS1NOS2
SCHEMBL11221870 0.97 ALDH1A1 (0.44) ALDH1A1NOS3NOS1NOS2
SCHEMBL7853346 0.97 ALDH1A1 (0.44) ALDH1A1NOS3NOS1NOS2
SCHEMBL7856162 0.97 ALDH1A1 (0.44) ALDH1A1NOS3NOS1NOS2
SCHEMBL3975125 0.94
SCHEMBL9047801 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603508-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2019-03-13 EP claimed
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
US-9924721-B2 Malonic ester derivatives of heteroarylpiperidines and -piperazines as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-27 US claimed
EP-3013821-B1 PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2018-03-14 EP claimed
US-20160198713-A1 Malonic ester derivatives of heteroarylpiperidines and -piperazines as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-07-14 US claimed
EP-3039023-A1 MALONIC ESTER DERIVATIVES OF HETEROARYLPIPERIDINES AND -PIPERAZINES AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2016-07-06 EP claimed
US-20160135461-A1 PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-05-19 US claimed
EP-3013821-A1 PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2016-05-04 EP claimed
US-9328107-B2 Primary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2016-05-03 US claimed
US-9006266-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US claimed
WO-1988006885-A1 PHOSPHOLIPASE A2 INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-09-22 WO claimed
US-4735959-A HYPOGLYCEMIC AGENTS DR. KARL THOMAE GMBH (DE) 1988-04-05 US claimed
EP-0103465-B1 20-AMINO MACROLIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1986-09-10 EP claimed
EP-0063826-B1 2-AMINO-BENZOIC-ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES OR INTERMEDIATES Dr. Karl Thomae GmbH (DE) 1984-12-05 EP claimed
EP-0124216-A1 C-20- and C-23-modified macrolide derivatives ELI LILLY AND COMPANY (US) 1984-11-07 EP claimed
US-4468511-A C-20- And C-23-Modified macrolide derivatives ELI LILLY AND COMPANY (US) 1984-08-28 US claimed
EP-0103465-A1 20-Amino macrolide derivatives ELI LILLY AND COMPANY (US) 1984-03-21 EP claimed
EP-0023569-B1 DERIVATIVES OF CARBOXYLIC ACIDS, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-06-22 EP claimed
EP-0063826-A2 2-Amino-benzoic-acid derivatives, their preparation and their use as medicines or intermediates Dr. Karl Thomae GmbH (DE) 1982-11-03 EP claimed
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 EP claimed

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-20160198713-A1 Malonic ester derivatives of heteroarylpiperidines and -piperazines as fungicides ME1, CYP1A1, CYP1A2 ALDH1A1 383/4885NOS3 1428/4885NOS1 841/4885
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A ALDH1A1 953/4885NOS3 178/4885NOS1 125/4885
US-20160135461-A1 PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES CYP1A1, PRXL2A, Q6ZSR9 ALDH1A1 120/4885NOS3 129/4885NOS1 5/4885

“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.