SCHEMBL2386

SCHEMBL2386

NCC#Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 1.00
CYP3A4 P08684 4/20 1.00
CYP2C9 P11712 4/20 1.00
CYP1A2 P05177 4/20 1.00
THPO P40225 1/20 1.00
BLM P54132 1/20 0.95
PMP22 Q01453 1/20 0.95
CYP2E1 P05181 3/20 0.57
CYP2A6 P11509 3/20 0.57
CYP2B6 P20813 3/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C8 P10632 1/20 0.55
APP P05067 1/20 0.55
HTR2A P28223 1/20 0.54
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 2/20 0.43
MEN1 O00255 2/20 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
Hydrochloric Acid SCHEMBL1321859 0.97 BLM (1.00) CYP2C19CYP3A4CYP2C9CYP1A2THPO
SCHEMBL6449000 0.86 CYP2C19 (0.75) CYP2C19CYP3A4CYP2C9CYP1A2THPO
SCHEMBL31244037 0.82 CYP2C19 (0.70) CYP2C19CYP3A4CYP2C9CYP1A2THPO
SCHEMBL1444744 0.80 CYP1A2 (0.67) CYP2C19CYP3A4CYP2C9CYP1A2THPO
Hydrochloric Acid SCHEMBL9018599 0.78 BLM (0.68) CYP2C19CYP3A4CYP2C9CYP1A2THPO
SCHEMBL28469893 0.78 CYP1A2 (0.64) CYP2C19CYP3A4CYP2C9CYP1A2THPO
SCHEMBL10768214 0.78 CYP1A2 (0.64) CYP2C19CYP3A4CYP2C9CYP1A2THPO
SCHEMBL25693846 0.77 CYP2C19 (0.62) CYP2C19CYP3A4CYP2C9CYP1A2THPO
SCHEMBL28973803 0.76 CYP1A2 (0.61) CYP2C19CYP3A4CYP2C9CYP1A2THPO
SCHEMBL6447254 0.76 CYP2C19 (0.61) CYP2C19CYP3A4CYP2C9CYP1A2THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023059810-A1 STENTS AND METHODS OF USE UNIVERSITY OF CONNECTICUT (US) 2023-04-13 WO claimed
WO-2023044463-A1 SILK FIBROIN DERIVED BRUSH-LIKE POLYMERS UNIVERSITY OF CONNECTICUT (US) 2023-03-23 WO claimed
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US claimed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US claimed
EP-0836445-A1 METHOD FOR REGULATING METABOLISM WITH DOPAMINE BETA HYDROXYLASE INHIBITORS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1998-04-22 EP claimed
US-5741503-A ADMINISTERING AT PREDETERMINED TIMES; ANTILIPEMIC AGENTS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1998-04-21 US claimed
US-5626860-A TREATMENT OF DIABETES AND REDUCTION OF FAT STORES THE BOARD OF SUPERVISORS OF LOUISANA STATE AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1997-05-06 US claimed
WO-1996039996-A1 METHOD FOR REGULATING METABOLISM WITH DOPAMINE BETA HYDROXYLASE INHIBITORS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1996-12-19 WO claimed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP claimed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO claimed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO claimed
US-4871748-A RODENTICIDES MAY & BAKER LIMITED (GB) 1989-10-03 US claimed
EP-0041324-B1 A NEW PHENYLPROPARGYLAMINE DERIVATIVE MAY & BAKER LIMITED (GB) 1983-06-08 EP claimed
US-4347252-A Rodenticidal 1-(3,5-bistrifluoromethylphenyl)-3-(4-t-butylpiperidino)prop-1-yne MAY & BAKER LTD. (GB) 1982-08-31 US claimed
EP-0041324-A1 A new phenylpropargylamine derivative MAY & BAKER LIMITED (GB) 1981-12-09 EP claimed
EP-3129065-B1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS AKAMARA THERAPEUTICS INC (US) 2026-05-13 EP disclosed
US-20260124324-A1 PHOTOCLICK CHEMISTRY OF SILK FOR TEMPORARY UV TATTOOS TUFTS COLLEGE (US) 2026-05-07 US disclosed
EP-0041324-A1 A new phenylpropargylamine derivative MAY & BAKER LIMITED (GB) 1981-12-09 EP disclosed
EP-0041324-A1 A new phenylpropargylamine derivative MAY & BAKER LIMITED (GB) 1981-12-09 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 (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-20260124324-A1 PHOTOCLICK CHEMISTRY OF SILK FOR TEMPORARY UV TATTOOS PTMS, ITK, MATK CYP2C19 1839/4885CYP3A4 1628/4885CYP2C9 1101/4885
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH CYP2C19 905/4885CYP3A4 1387/4885CYP2C9 1346/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH CYP2C19 1296/4885CYP3A4 2033/4885CYP2C9 2190/4885

“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.