SCHEMBL1249938

SCHEMBL1249938

c1ccc2c(c1)ncn2N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
HTT P42858 3/20 0.41
ADRB2 P07550 1/20 0.41
NCF1 P14598 1/20 0.41
HTR3A P46098 5/20 0.40
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR1A P08908 2/20 0.40
HTR2C P28335 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRB1 P08588 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL4553023 0.84 TDP1 (0.46) TDP1HTTHSD17B10POLB
SCHEMBL29991297 0.82 GAA (0.47) TDP1HTTHSD17B10MKNK1POLB
SCHEMBL739312 0.82 GAA (0.47) TDP1HTTHSD17B10MKNK1POLB
SCHEMBL28536392 0.79 HRH4 (0.47) TDP1HTTHTR3AHTR3EHTR3B
SCHEMBL11609822 0.79 HTT (0.54) TDP1HTTMAPK1MKNK1POLB
SCHEMBL4558381 0.78 HTR2C (0.45) HTR3AHTR3EHTR3BHTR1AHTR2C
SCHEMBL21047640 0.78 MKNK1 (0.42) TDP1HTTHSD17B10MKNK1POLB
SCHEMBL10384099 0.77 MKNK1 (0.43) TDP1HTTHTR3AHTR3EHTR3B
SCHEMBL7196401 0.77 TDP1 (0.58) TDP1HTTMAPK1HSD17B10POLB
Fluoride SCHEMBL7486853 0.76 HTT (0.54) TDP1HTTMAPK1MKNK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0505543-A1 NOVEL p-SUBSTITUTED PHENYL 4-OXYBUTANE AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRE THERAMEX (MC) 1992-09-30 EP claimed
WO-1992006977-A1 NOVEL p-SUBSTITUTED PHENYL 4-OXYBUTANE AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRE THERAMEX S.A. (MC) 1992-04-30 WO claimed
US-20190292189-A1 LIM KINASE INHIBITORS VIRONGY, LLC 2019-09-26 US disclosed
EP-3252045-B1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS ABBVIE INC (US) 2019-09-04 EP disclosed
US-10112911-B2 Substituted cyanoguanidines as oral anti-virals ABBVIE INC. (US) 2018-10-30 US disclosed
EP-2867221-B1 CYANOGUANIDINES AND THEIR SUE AS ANTIVIRAL AGENTS. ABBVIE INC (US) 2018-01-17 EP disclosed
EP-3252045-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS AbbVie Inc. (US) 2017-12-06 EP disclosed
WO-2017201187-A1 LIM KINASE INHIBITORS VIRONGY, LLC (US) 2017-11-23 WO disclosed
US-9415047-B2 Use of benzo five-membered nitrogen heterocyclic piperazine or piperidine derivatives Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2016-08-16 US disclosed
US-20150322045-A1 CYANOGUANIDINES AND USES THEREOF ABBVIE INC. 2015-11-12 US disclosed
US-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2015-10-22 US disclosed
EP-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 EP disclosed
EP-1747258-A2 CLEANSING WIPES HAVING A COVALENTLY BOUND OLEOPHILIC COATING, THEIR USE AND PROCESSES FOR THEIR MANUFACTURE Reckitt Benckiser (UK) LIMITED (GB) 2007-01-31 EP disclosed
EP-1744836-A2 PROCESS AND APPARATUS FOR PLASMA COATING, SUBSTRATES COATED BY THIS METHOD OR APPARATUS Dow Corning Ireland Limited (IE) 2007-01-24 EP disclosed
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-01-26 US disclosed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 WO disclosed
WO-2005123891-A2 CLEANSING WIPES HAVING A COVALENTLY BOUND OLEOPHILIC COATING, THEIR USE AND PROCESSES FOR THEIR MANUFACTURE RECKITT BENCKISER (UK) LIMITED (GB) 2005-12-29 WO disclosed
WO-2005110626-A2 PROCESS AND APPARATUS FOR PLASMA COATING, SUBSTRATES COATED BY THIS METOD OR APPARATUS DOW CORNING IRELAND LIMITED (IE) 2005-11-24 WO disclosed
US-6548505-B1 Protecting biological materials from damage caused by radiation; side effect reduction during radiotherapy or chemotherapy; indole, benzimidazole, benzoxazole or benzothiazole compounds substituted with 4-alkylpiperazino PETER MACCALLUM CANCER INSTITUTE (AU) 2003-04-15 US disclosed
EP-0580541-B1 Piperidine derivatives of benzimidazole as antihistaminic and antiallergic agents ESPANOLA PROD QUIMICOS (ES) 1999-10-06 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 (5 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-20150322045-A1 CYANOGUANIDINES AND USES THEREOF GMPS, RNGTT, RNMT TDP1 1456/4885HTT 1799/4885ADRB2 3831/4885
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, GHRHR, LHCGR TDP1 4306/4885HTT 439/4885ADRB2 375/4885
US-10112911-B2 Substituted cyanoguanidines as oral anti-virals RNGTT, GMPS, RNMT TDP1 1723/4885HTT 2627/4885ADRB2 3395/4885
US-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES P2RX5, TBXA2R, CYP3A5 TDP1 2634/4885HTT 2390/4885ADRB2 64/4885
US-20190292189-A1 LIM KINASE INHIBITORS LIMK1, LIMK2, LIMA1 TDP1 1898/4885HTT 2181/4885ADRB2 4138/4885

“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.