Cimetidine

Cimetidine

SCHEMBL534521

CN/C(=N/CCSCc1nc[nH]c1C)NC#N

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HRH2

The experimentally established mechanism targets of Cimetidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 known ✓ P25021 2/20 0.65
SLC47A1 Q96FL8 2/20 0.65
MEN1 O00255 1/20 0.65
SLC22A2 O15244 1/20 0.65
LMNA P02545 1/20 0.65
CYP1A2 P05177 1/20 0.65
GLA P06280 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
TSHR P16473 1/20 0.65
ATP4A P20648 1/20 0.65
APEX1 P27695 1/20 0.65
PDE4A P27815 1/20 0.65
CYP2C19 P33261 1/20 0.65
ADRA1A P35348 1/20 0.65
ATP4B P51164 1/20 0.65
KMT2A Q03164 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
SLC47A2 Q86VL8 1/20 0.65
SLC22A8 Q8TCC7 1/20 0.65

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
Cimetidine SCHEMBL534522 1.00 SLC47A1 (0.65) SLC47A1HRH2MEN1SLC22A2LMNA
Cimetidine SCHEMBL5999907 1.00 SLC47A1 (0.65) SLC47A1HRH2MEN1SLC22A2LMNA
Cimetidine SCHEMBL10855579 1.00 SLC47A1 (0.65) SLC47A1HRH2MEN1SLC22A2LMNA
Cimetidine SCHEMBL11156751 0.99 SLC47A1 (0.64) SLC47A1HRH2MEN1SLC22A2LMNA
Cimetidine SCHEMBL11156749 0.99 SLC47A1 (0.64) SLC47A1HRH2MEN1SLC22A2LMNA
SCHEMBL10338624 0.94 SLC47A1 (0.69) SLC47A1HRH2MEN1SLC22A2LMNA
SCHEMBL11527651 0.93 HRH2 (0.63) SLC47A1HRH2MEN1SLC22A2LMNA
SCHEMBL11527648 0.93 HRH2 (0.63) SLC47A1HRH2MEN1SLC22A2LMNA
Cimetidine SCHEMBL11074155 0.90 HRH2 (0.68) SLC47A1HRH2MEN1SLC22A2LMNA
SCHEMBL11073364 0.90 SLC47A1 (0.55) SLC47A1HRH2MEN1SLC22A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0367484-B1 Carboxylic acid derivates GLAXO GROUP LTD (GB) 1994-02-16 EP claimed
EP-0571463-A1 NOVEL CIMETIDINE POLYMORPH AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1993-12-01 EP claimed
WO-1992014713-A1 NOVEL CIMETIDINE POLYMORPH AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1992-09-03 WO claimed
EP-0261818-B1 PROCESS FOR PREPARATION OF GUANIDINE DERIVATIVE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-12-11 EP claimed
US-4973703-A ACTIVATED CARBON IN WATER IN PRESENCE OR ORGANIC ACID MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-11-27 US claimed
EP-0261818-A1 Process for preparation of guanidine derivative MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-03-30 EP claimed
JP-63060970-A None JP disclosed
JP-63201171-A None JP disclosed
JP-59007172-A None JP disclosed
US-11213566-B2 Oral care compositions and methods LUBRIS LLC (US) 2022-01-04 US disclosed
US-20190254939-A1 Strip for the Delivery of an Oral Care Active and Methods for Applying Oral Care Actives THE PROCTER & GAMBLE COMPANY 2019-08-22 US disclosed
US-10285916-B2 Strip for the delivery of an oral care active and methods for applying oral care actives THE PROCTER & GAMBLE COMPANY (US) 2019-05-14 US disclosed
US-10285915-B2 Strip for the delivery of an oral care active and methods for applying oral care actives THE PROCTER & GAMBLE COMPANY (US) 2019-05-14 US disclosed
US-4171325-A Chemical process SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-10-16 US disclosed
US-4171325-A Chemical process SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-10-16 US disclosed
US-4163858-A Process for preparing new imidazolemethylphosphonium salts SK&F LAB CO. (US) 1979-08-07 US disclosed
US-4139708-A Intermediates and processes useful for preparing medicinal agents imidazolemethylphosphonium salts SK&F LAB CO. (US) 1979-02-13 US disclosed
US-4119781-A Process for preparing 4-substituted imidazole compounds SK&F LAB CO. (US) 1978-10-10 US disclosed
US-4104472-A Imidazolemethylphosphonium salts SMITHKLINE CORPORATION (US) 1978-08-01 US disclosed
US-4063023-A Process for preparing 4-(hydroxymethyl)imidazole compounds SK&F LAB CO. (US) 1977-12-13 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 (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-20190254939-A1 Strip for the Delivery of an Oral Care Active and Methods for Applying Oral Care Actives ACTN1, KRT18, CDH1 HRH2 3640/4885SLC47A1 1745/4885MEN1 4585/4885
US-10285916-B2 Strip for the delivery of an oral care active and methods for applying oral care actives ACTN1, KRT18, CDH1 HRH2 3640/4885SLC47A1 1745/4885MEN1 4585/4885
US-10285915-B2 Strip for the delivery of an oral care active and methods for applying oral care actives ACTN1, KRT18, CDH1 HRH2 3640/4885SLC47A1 1745/4885MEN1 4585/4885

“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.