SCHEMBL5863714

SCHEMBL5863714

Clc1ccc(CNC2CCCCC2)cc1

nearest known ligand 0.93

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.93
HRH3 Q9Y5N1 3/20 0.72
LMNA P02545 1/20 0.59
ALOX12 P18054 1/20 0.59
EPHX1 P07099 1/20 0.59
ACHE P22303 3/20 0.58
BCHE P06276 2/20 0.58
BACE1 P56817 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HDAC1 Q13547 1/20 0.57
CXCR4 P61073 2/20 0.54
CXCL12 P48061 1/20 0.54
GLA P06280 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
FOXM1 Q08050 1/20 0.49

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
SCHEMBL11615671 1.00 POLB (0.93) POLBHRH3LMNAALOX12EPHX1
SCHEMBL11112228 0.98 POLB (0.96) POLBHRH3LMNAALOX12EPHX1
SCHEMBL8809145 0.95 POLB (0.83) POLBHRH3LMNAALOX12EPHX1
SCHEMBL31083251 0.94 POLB (0.89) POLBHRH3LMNAALOX12EPHX1
SCHEMBL8808145 0.90 POLB (0.76) POLBHRH3LMNAALOX12EPHX1
SCHEMBL3236686 0.90 POLB (0.81) POLBHRH3LMNAALOX12EPHX1
SCHEMBL10953965 0.90 HRH3 (0.88) POLBHRH3MEN1KMT2AHDAC1
SCHEMBL19329149 0.82 POLB (0.70) POLBHRH3LMNAALOX12EPHX1
SCHEMBL7318100 0.81 POLB (0.69) POLBHRH3LMNAALOX12EPHX1
SCHEMBL3359770 0.81 POLB (0.69) POLBHRH3LMNAALOX12EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452464-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
WO-2021126999-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
EP-3426648-B1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LTD (AU) 2021-05-12 EP disclosed
WO-2021086879-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2021-05-06 WO disclosed
EP-3426635-B1 3-OXA-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES CTXT PTY LTD (AU) 2021-05-05 EP disclosed
EP-3426351-B1 BENZOPIPERIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES CTXT PTY LTD (AU) 2020-12-09 EP disclosed
EP-3426647-B1 TETRAHYDROISOQUINOLINES AS PRMT5-INHIBITORS CTXT PTY LTD (AU) 2020-11-18 EP disclosed
EP-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 EP disclosed
WO-2017153513-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
WO-2017153520-A1 BENZOPIPERIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
WO-2017153519-A1 3-OXA-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AND THIER USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
WO-2017153515-A1 TETRAHYDROISOQUINOLINES AS PRMT5-INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 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
US-4127673-A Combating fungi with new N-4-halobenzyl-N-cycloalkyl-N'-phenylureas and thioureas NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1978-11-28 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC POLB 1984/4885HRH3 334/4885LMNA 508/4885

“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.