SCHEMBL717372

SCHEMBL717372

O=C(NN1CCNCC1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.69
SIGMAR1 Q99720 1/20 0.56
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
POLB P06746 1/20 0.46
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
CYP2D6 P10635 3/20 0.45
KAT6A Q92794 1/20 0.45
OPRD1 P41143 1/20 0.45
HDAC3 O15379 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
IDO1 P14902 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
SCHEMBL2399935 0.83 HTT (0.96) HTTALDH1A1TSHRSMN1; SMN2CYP2C9
SCHEMBL27606796 0.83 HTT (0.47) HTTSIGMAR1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL21882079 0.83 SMN1; SMN2 (0.67) HTTSIGMAR1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL1721295 0.83 CYP2D6 (0.67) HTTSMN1; SMN2CYP2C9CYP2C19POLB
SCHEMBL3214201 0.82 HPGDS (0.49) HTTSIGMAR1HDAC3HDAC1HDAC2
N-Piperidinobenzamide SCHEMBL696161 0.81 HTT (1.00) HTTALDH1A1TSHRSMN1; SMN2CYP2C9
SCHEMBL9282775 0.81 HTT (1.00) HTTALDH1A1TSHRSMN1; SMN2CYP2C9
Bromide SCHEMBL7777483 0.81 CYP2D6 (0.65) HTTSMN1; SMN2CYP2C9CYP2C19POLB
SCHEMBL4538968 0.81 ALDH1A1 (0.56) HTTALDH1A1TSHRSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL3216407 0.81 HPGDS (0.48) HTTSIGMAR1SMN1; SMN2POLBHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106659765-B Use of dianhydrogalactitol and analogs or derivatives thereof for treating non-small cell lung cancer and ovarian cancer 德玛医药 2021-08-13 CN disclosed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-8980902-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-29 US disclosed
US-8822470-B2 Substituted pyrido[2,3-b]pyrazines TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-20140024654-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
US-20130274239-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-10-17 US disclosed
US-8541417-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-09-24 US disclosed
US-8450323-B2 Substituted derivatives of pyrido[3,2-e][1,4]thiazino[4,3-a]pyrazine and pyrido[3,2-e][1,4]oxazino[4,3-a]pyrazine TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-28 US disclosed
EP-2459561-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-06-06 EP disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100130485-A1 Cyclopropyl Amines as Modulators of the Histamine H3 Receptor JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 US disclosed
EP-1948607-B1 CYCLOPROPYL AMINES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2010-04-07 EP disclosed
US-7687499-B2 Cyclopropyl amines as modulators of the histamine H3 receptor JANSSEN PHARMACEUTICA NV (BE) 2010-03-30 US disclosed
EP-1948607-A2 CYCLOPROPYL AMINES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2008-07-30 EP disclosed
WO-2007035425-A2 CYCLOPROPYL AMINES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-29 WO disclosed
US-20070066821-A1 CYCLOPROPYL AMINES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-22 US disclosed
US-20040235855-A1 Phospholipase C inhibitors for use in treating inflammatory disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-25 US disclosed
WO-2004087685-A2 PHOSPHOLIPASE C INHIBITORS FOR USE IN TREATING INFLAMMATORY DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2004-10-14 WO disclosed
EP-0704439-B1 NOVEL INTERMEDIATE FOR SYNTHETIC USE AND PROCESS FOR PRODUCING AMINOPIPERAZINE DERIVATIVE FUJISAWA PHARMACEUTICAL CO (JP) 2001-08-16 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 (7 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-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 HTT 805/4885SIGMAR1 3322/4885HSD17B10 2701/4885
US-20070066821-A1 CYCLOPROPYL AMINES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 HTT 619/4885SIGMAR1 169/4885HSD17B10 3998/4885
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 HTT 805/4885SIGMAR1 3322/4885HSD17B10 2701/4885
US-20100130485-A1 Cyclopropyl Amines as Modulators of the Histamine H3 Receptor HRH3, HRH4, HRH2 HTT 619/4885SIGMAR1 169/4885HSD17B10 3998/4885
US-20140024654-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 HTT 2110/4885SIGMAR1 4478/4885HSD17B10 1655/4885
US-20130274239-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 HTT 805/4885SIGMAR1 3322/4885HSD17B10 2701/4885
US-20040235855-A1 Phospholipase C inhibitors for use in treating inflammatory disorders PLA2G4C, PLA2G4B, PLA2G5 HTT 4808/4885SIGMAR1 2254/4885HSD17B10 1403/4885

“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.