SCHEMBL4861264

SCHEMBL4861264

CC(Br)COc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
MAOA P21397 1/20 0.57
PTGS1 P23219 1/20 0.57
CYP2D6 P10635 4/20 0.50
MTNR1A P48039 3/20 0.50
MTNR1B P49286 3/20 0.50
SCN4A P35499 2/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
KCNA3 P22001 1/20 0.46
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPC1 O15118 1/20 0.44
MTOR P42345 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC22A2 O15244 1/20 0.44

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
SCHEMBL7288111 0.85 LMNA (0.56) LMNAMAOAPTGS1CYP2C19SLC6A2
SCHEMBL3267172 0.82 LMNA (0.63) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL6047047 0.81 LMNA (0.56) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL9178337 0.81 LMNA (0.68) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL13385106 0.81 LMNA (0.68) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL97377 0.81 LMNA (0.68) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL29120468 0.80 CYP2C9 (0.53) MAOACYP2C9CYP2C19MAPK1ALDH1A1
Ammonia Solution, Strong SCHEMBL28834669 0.79 LMNA (0.65) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL4093444 0.79 LMNA (0.54) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL7928279 0.78 LMNA (0.59) LMNAMAOAPTGS1CYP2D6MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351924-B2 Electroreductive cross coupling OHIO STATE INNOVATION FOUNDATION (US) 2025-07-08 US disclosed
US-20230250539-A1 ELECTROREDUCTIVE CROSS COUPLING OHIO STATE INNOVATION FOUNDATION 2023-08-10 US disclosed
CN-101171234-B Dihydropyridine derivatives ORGANON NV 2011-11-16 CN disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
CN-101171234-A Dihydropyridine derivatives OUGARI CO LTD (NL) 2008-04-30 CN disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO disclosed
EP-0831824-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2001-05-02 EP disclosed
EP-0831824-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-04-01 EP disclosed
WO-1996039140-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-12-12 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 (4 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 LMNA 1921/4885MAOA 152/4885PTGS1 211/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 LMNA 1921/4885MAOA 152/4885PTGS1 211/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE LMNA 2218/4885MAOA 54/4885PTGS1 417/4885
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R LMNA 3898/4885MAOA 57/4885PTGS1 1604/4885

“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.