SCHEMBL8202834

SCHEMBL8202834

N=C(N)NCCCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 2/20 0.56
HPGD P15428 2/20 0.56
RAB9A P51151 1/20 0.56
GAA P10253 1/20 0.56
SIGMAR1 Q99720 2/20 0.55
EPHX2 P34913 1/20 0.54
NOS1 P29475 1/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
EPHX1 P07099 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 1/20 0.53
CNR1 P21554 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50

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
Hydrochloric Acid SCHEMBL28129395 0.98 L3MBTL1 (0.56) L3MBTL1NPC1HPGDRAB9AGAA
SCHEMBL21171920 0.94 TRPV1 (0.56) L3MBTL1NPC1HPGDRAB9ASIGMAR1
[11C]Phenethylguanidine SCHEMBL837644 0.88 NPC1 (0.59) L3MBTL1NPC1RAB9AGAANOS1
[11C]Phenethylguanidine SCHEMBL28129390 0.86 NPC1 (0.57) L3MBTL1NPC1RAB9AGAANOS1
[11C]Phenethylguanidine SCHEMBL27117673 0.86 NPC1 (0.57) L3MBTL1NPC1RAB9AGAANOS1
SCHEMBL7838315 0.86 L3MBTL1 (0.51) L3MBTL1NPC1HPGDRAB9AGAA
SCHEMBL17198821 0.85 NPC1 (0.55) NPC1RAB9AGAANOS1EPHX1
Hydrochloric Acid SCHEMBL7846083 0.84 L3MBTL1 (0.50) L3MBTL1NPC1HPGDRAB9AGAA
SCHEMBL24487091 0.83 RAB9A (0.50) L3MBTL1NPC1HPGDRAB9AGAA
Hydrochloric Acid SCHEMBL30496746 0.83 L3MBTL1 (0.49) L3MBTL1NPC1HPGDRAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN claimed
CN-100412073-C Novel thiophenecarboxamidines, compositions thereof, and methods of treating complement-mediated diseases and conditions DIMENSIONAL PHARM INC (US) 2008-08-20 CN claimed
CN-1729172-A Variously substituted derivatives of guanidine, and their use as medicines with anti-diabetes and/or anti-obesity activity SIGMA TAU IND FARMACEUTI (IT) 2006-02-01 CN claimed
CN-1665800-A Novel thiophenecarboxamidines, compositions thereof, and methods of treating complement-mediated diseases and conditions DIMENSIONAL PHARM INC (US) 2005-09-07 CN claimed
CN-1125051-C Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors DIMENSIONAL PHARM INC (US) 2003-10-22 CN claimed
CN-1283189-A Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors DIMENSIONAL PHARM INC (US) 2001-02-07 CN claimed
CN-113754983-B Resin composition 旭化成株式会社 2024-12-06 CN disclosed
CN-118339274-A Brandy replica 艾娃食品实验室股份有限公司 2024-07-12 CN disclosed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 CN disclosed
EP-2800561-B1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMA US LLC (US) 2020-08-19 EP disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
CN-100412073-C Novel thiophenecarboxamidines, compositions thereof, and methods of treating complement-mediated diseases and conditions DIMENSIONAL PHARM INC (US) 2008-08-20 CN disclosed
CN-1729172-A Variously substituted derivatives of guanidine, and their use as medicines with anti-diabetes and/or anti-obesity activity SIGMA TAU IND FARMACEUTI (IT) 2006-02-01 CN disclosed
CN-1665800-A Novel thiophenecarboxamidines, compositions thereof, and methods of treating complement-mediated diseases and conditions DIMENSIONAL PHARM INC (US) 2005-09-07 CN disclosed
US-6143791-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-07 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 (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-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 L3MBTL1 4000/4885NPC1 2485/4885HPGD 2441/4885
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 L3MBTL1 2820/4885NPC1 1592/4885HPGD 507/4885

“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.