SCHEMBL5864236

SCHEMBL5864236

Cc1ccc(CNC2CCCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.72
POLB P06746 1/20 0.62
HPGD P15428 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HDAC1 Q13547 1/20 0.57
ACHE P22303 2/20 0.56
BACE1 P56817 2/20 0.56
CXCR4 P61073 2/20 0.54
CXCL12 P48061 1/20 0.54
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
BCHE P06276 1/20 0.50

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
SCHEMBL11434269 0.98 HRH3 (0.69) HRH3POLBHPGDRAB9ASMN1; SMN2
SCHEMBL8807968 0.95 HRH3 (0.83) HRH3POLBHPGDRAB9ASMN1; SMN2
SCHEMBL2731922 0.90 ACHE (0.61) HRH3POLBHPGDRAB9ASMN1; SMN2
SCHEMBL10953965 0.90 HRH3 (0.88) HRH3POLBRAB9AHDAC1CXCR4
Hydrochloric Acid SCHEMBL27669852 0.88 RAB9A (0.61) HRH3POLBHPGDRAB9ASMN1; SMN2
SCHEMBL17335877 0.85 HRH3 (0.72) HRH3POLBRAB9AHDAC1CXCR4
SCHEMBL8314076 0.82 SSTR3 (0.61) HRH3POLBHPGDRAB9ASMN1; SMN2
SCHEMBL3440238 0.82 HRH3 (0.69) HRH3POLBRAB9AHDAC1CXCR4
SCHEMBL14848246 0.81 ACHE (0.54) HRH3POLBHPGDRAB9ASMN1; SMN2
SCHEMBL22255219 0.81 ACHE (0.54) HRH3POLBHPGDRAB9ASMN1; SMN2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306111-A2 3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF Novartis AG (CH) 2024-01-17 EP disclosed
EP-4245756-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF Gilead Sciences, Inc. (US) 2023-09-20 EP disclosed
CN-110818576-B Secondary amine derivative synthesized by rare earth catalysis and preparation method thereof 温州大学 2023-02-24 CN disclosed
EP-3355699-B1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 ONCOTHERAPY SCIENCE INC (JP) 2021-03-31 EP disclosed
US-20210053997-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-02-25 US disclosed
CN-110818576-A Secondary amine derivative synthesized by rare earth catalysis and preparation method thereof 温州大学 2020-02-21 CN disclosed
WO-2017027768-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. (US) 2017-02-16 WO disclosed
WO-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 WO disclosed
WO-2009042092-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES MERCK & CO., INC. (US) 2009-04-02 WO disclosed
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP disclosed
US-4216228-A Combating fungi with N-benzyl-N-cycloalkyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1980-08-05 US disclosed
EP-0000376-A1 Ureas and thioureas, processes for their preparation and their use as fungicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1979-01-24 EP 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-20210053997-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 HRH3 2057/4885POLB 171/4885HPGD 3729/4885
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC HRH3 334/4885POLB 1984/4885HPGD 775/4885

“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.