SCHEMBL7573495

SCHEMBL7573495

CN1CCN=C1N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.38
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADRB1 P08588 6/20 0.35
ALDH1A1 P00352 2/20 0.35
ADRB2 P07550 2/20 0.35
PLD1 Q13393 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NCF1 P14598 1/20 0.35
HTR3E A5X5Y0 2/20 0.33
HTR3B O95264 2/20 0.33
HTR3A P46098 2/20 0.33
HTR3D Q70Z44 2/20 0.33
HTR3C Q8WXA8 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
LMNA P02545 1/20 0.33
CASP1 P29466 1/20 0.32
CASP4 P49662 1/20 0.32
CASP5 P51878 1/20 0.32

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 SCHEMBL7573222 0.98 ALDH1A1 (0.38) HRH1USP2SMN1; SMN2TDP1ADRB1
SCHEMBL15038753 0.76 NOS1 (0.35) USP2NOS1
SCHEMBL14753506 0.70 INMT (0.43) USP2ALDH1A1LMNACHRNA4
SCHEMBL14753505 0.70 INMT (0.39) USP2ALDH1A1LMNANOS1
SCHEMBL22106040 0.68 INMT (0.47) USP2ALDH1A1LMNACHRNA4
SCHEMBL22106038 0.68 INMT (0.38) USP2
SCHEMBL13117169 0.67 SIGMAR1 (0.56) USP2ADRB1ALDH1A1ADRB2PLD1
Acetic Acid SCHEMBL25355446 0.67 INMT (0.40)
SCHEMBL22106039 0.67 USP2 (0.41) USP2ALDH1A1LMNA
SCHEMBL9987736 0.66 LMNA (0.30) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020147359-A1 Intermediate compound for preparing guanidine and amidine derivatives LUETTKE SVEN (DE) 2002-10-10 US disclosed
US-6455700-B1 THERAPY FOR NEUROKININ SENSITIVE DISEASE BOEHRINGER INGELHEIM PHARMA KG. (DE) 2002-09-24 US disclosed
US-20020133012-A1 Process for preparing guanidine and amidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-19 US disclosed
US-6429328-B2 REACTING AN AMIDE DERIVATIVE WITH A PIPERIDINE CONTAINING GUANIDINE GROUP TO PRODUCE THE PRODUCT BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-08-06 US disclosed
US-20020010173-A1 Processes and intermediate compounds for preparing guanidine and amidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-01-24 US disclosed
US-6277840-B1 ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-08-21 US disclosed
EP-1086088-A2 NOVEL NEUROKININ ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS Boehringer Ingelheim Pharma KG (DE) 2001-03-28 EP disclosed
US-6103719-A NEUROKININ-A- OR NEUROKININ-B TACHNKININ ANTAGONISTIC PROPERTIES; SUBSTANCE P ANTAGONISM; RESPIRATORY, GASTROINTESTINAL, NERVOUS SYSTEM, SKIN DISORDERS; BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-08-15 US disclosed
WO-1999062893-A2 NOVEL NEUROKININ ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 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 (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-20020010173-A1 Processes and intermediate compounds for preparing guanidine and amidine derivatives CCKAR, NPY2R, CCKBR HRH1 95/4885USP2 2813/4885SMN1; SMN2 2457/4885
US-20020147359-A1 Intermediate compound for preparing guanidine and amidine derivatives NPY2R, CCKAR, NPY1R HRH1 181/4885USP2 3271/4885SMN1; SMN2 2091/4885
US-20020133012-A1 Process for preparing guanidine and amidine derivatives NPY2R, NPY1R, CCKAR HRH1 113/4885USP2 3043/4885SMN1; SMN2 1977/4885

“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.