SCHEMBL349370

SCHEMBL349370

O=[C]CCc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.55
HRH3 Q9Y5N1 1/20 0.50
LMNA P02545 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTPRA P18433 1/20 0.46
CYP2D6 P10635 1/20 0.46
NAAA Q02083 1/20 0.45

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
SCHEMBL230753 0.79 HRH1 (0.73) HRH1HRH3LMNATAAR1ALDH1A1
SCHEMBL29485678 0.79 HRH1 (0.73) HRH1HRH3LMNATAAR1ALDH1A1
SCHEMBL27295191 0.79 HRH1 (0.55) HRH1HRH3LMNATAAR1ALDH1A1
SCHEMBL38655688 0.79 HRH1 (0.55) HRH1HRH3LMNATAAR1ALDH1A1
SCHEMBL4819213 0.79 HRH1 (0.55) HRH1HRH3LMNATAAR1ALDH1A1
SCHEMBL2963211 0.79 HRH1 (0.55) HRH1HRH3LMNATAAR1ALDH1A1
SCHEMBL348980 0.78
Bromide SCHEMBL28641396 0.77 HRH1 (0.70) HRH1HRH3LMNATAAR1ALDH1A1
SCHEMBL9411278 0.76 CA12 (0.47) HRH1HRH3LMNATAAR1ALDH1A1
SCHEMBL1496464 0.76 CYP1A2 (0.61) HRH1HRH3LMNATAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 US claimed
EP-2491051-A2 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2012-08-29 EP claimed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO claimed
US-7666866-B2 Antithrombotic diamides ELI LILLY AND COMPANY (US) 2010-02-23 US claimed
EP-1819693-B1 ANTITHROMBOTIC DIAMIDES LILLY CO ELI (US) 2009-08-26 EP claimed
US-20090062271-A1 Antithrombotic Diamides ELI LILLY AND COMPANY (US) 2009-03-05 US claimed
EP-1819693-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2007-08-22 EP claimed
WO-2006057868-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2006-06-01 WO claimed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 EP claimed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 EP claimed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
WO-2022255915-A1 PET RADIOTRACERS NORDBERG AGNETA (SE) 2022-12-08 WO disclosed
US-10697019-B2 Method of diagnosis and prognosis IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-06-30 US disclosed
US-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2017-08-24 US disclosed
EP-3180350-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY Imperial Innovations Ltd (GB) 2017-06-21 EP disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4242507-A Sulfonic acid esters FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-12-30 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 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-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY MCL1, DDIT3, MAP2K7 HRH1 4737/4885HRH3 4652/4885LMNA 2713/4885
US-20090062271-A1 Antithrombotic Diamides TFPI, SERPINC1, TFPI2 HRH1 2172/4885HRH3 3302/4885LMNA 2791/4885
US-20120277164-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 HRH1 4432/4885HRH3 4489/4885LMNA 4214/4885

“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.