SCHEMBL5189353

SCHEMBL5189353

BrC1OCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
SLC6A2 P23975 12/20 0.36
SLC6A4 P31645 10/20 0.36
CYP2D6 P10635 8/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
NISCH Q9Y2I1 1/20 0.35
SLC6A3 Q01959 3/20 0.35

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
SCHEMBL8551292 0.78 RAB9A (0.48) HTR2ARAB9ASMN1; SMN2LMNA
SCHEMBL3683946 0.73 LMNA (0.39) HTR2ASLC6A2SLC6A4CYP2D6RAB9A
SCHEMBL22731139 0.73 HTR2A (0.37) HTR2ASLC6A2SLC6A4CYP2D6RAB9A
SCHEMBL5083201 0.73 SLC6A2 (0.37) HTR2ASLC6A2SLC6A4CYP2D6RAB9A
SCHEMBL18536393 0.73 HTR2A (0.37) HTR2ASLC6A2SLC6A4CYP2D6RAB9A
SCHEMBL24999225 0.73 MAOA (0.41) HTR2ASLC6A2SLC6A4CYP2D6RAB9A
SCHEMBL3420534 0.73 MAOA (0.41) HTR2ASLC6A2SLC6A4CYP2D6RAB9A
SCHEMBL11419089 0.73 SLC6A2 (0.37) HTR2ASLC6A2SLC6A4CYP2D6RAB9A
SCHEMBL3216781 0.73 SLC6A2 (0.40) HTR2ASLC6A2SLC6A4CYP2D6SMN1; SMN2
SCHEMBL5086903 0.73 HTR2A (0.46) HTR2ASLC6A2SLC6A4CYP2D6RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115397822-A CBP/EP300 inhibitors and uses thereof 南京药石科技股份有限公司 2022-11-25 CN disclosed
CN-109496213-A Spiro-compound and its preparation and application 阿比德治疗公司 2019-03-19 CN disclosed
CN-108601769-A Pyrazole compound and its preparation and application 阿比德治疗公司 2018-09-28 CN disclosed
CN-108368053-A Substituted benzazepine derivatives as antibacterial compounds 葛兰素史密斯克莱知识产权发展有限公司 2018-08-03 CN disclosed
CN-106660982-A Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2017-05-10 CN disclosed
CN-105461589-A Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI AVENTIS 2016-04-06 CN disclosed
CN-105418450-A ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS 2016-03-23 CN disclosed
CN-102083432-B Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2016-02-17 CN disclosed
CN-102712589-B Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG 2015-05-13 CN disclosed
CN-103382216-A Cyanoisoquinoline compounds and methods of use thereof FIBROGEN INC 2013-11-06 CN disclosed
WO-2004094399-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF CITALOPRAM HYDROBROMIDE NATCO PHARMA LTD (IN) 2004-11-04 WO disclosed
WO-2004065375-A1 PROCESSES FOR THE PREPARATION OF ESCITALOPRAM AND ITS PRECURSOR NATCO PHARMA LIMITED (IN) 2004-08-05 WO disclosed
US-20040133017-A1 Process for the preparation of citalopram NATCO PHARMA LIMITED (IN) 2004-07-08 US disclosed
US-20040092755-A1 Preparation of phthalanes CIPLA LIMITED (IN) 2004-05-13 US disclosed
EP-1368330-A1 PROCESS FOR THE PREPARATION OF CITALOPRAM Natco Pharma Limited (IN) 2003-12-10 EP disclosed
EP-1366034-A1 PREPARATION OF PHTHALANES Cipla Ltd. (IN) 2003-12-03 EP disclosed
WO-2003087081-A1 PROCESS AND INTERMEDIATES FOR PREPARING ESCITALOPRAM TORCAN CHEMICAL LTD. (CA) 2003-10-23 WO disclosed
WO-2002070501-A1 PREPARATION OF PHTHALANES CIPLA LTD. (IN) 2002-09-12 WO disclosed
WO-2002066453-A1 PROCESS FOR THE PREPARATION OF CITALOPRAM NATCO PHARMA LIMITED (IN) 2002-08-29 WO disclosed
WO-2001002383-A2 PROCESS FOR THE SYNTHESIS OF CITALOPRAM LUNDBECK PHARMACEUTICALS ITALY S.P.A. (IT) 2001-01-11 WO 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-20040133017-A1 Process for the preparation of citalopram F7, F13B, TFPI HTR2A 176/4885SLC6A2 141/4885SLC6A4 41/4885
US-20040092755-A1 Preparation of phthalanes CBR1, RCOR1, PBRM1 HTR2A 482/4885SLC6A2 166/4885SLC6A4 182/4885

“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.