SCHEMBL5099963

SCHEMBL5099963

N#Cc1ccccc1CCCNCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.43
▸ MPO P05164 4/20 0.40
▸ SIGMAR1 Q99720 3/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ ADRA2C P18825 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35

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
SCHEMBL7624418 0.84 ADRA2C (0.42) DPP4ADRA2CCYP19A1ALDH1A1MAPT
SCHEMBL29268632 0.81 MAOA (0.44) ADRA2CCYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5099953 0.80 CTSK (0.45) DPP4MPOSLC6A4ALDH1A1MAPT
SCHEMBL1064586 0.80 ADRA2C (0.53) ADRA2CCYP19A1HTR2AALDH1A1MAPT
SCHEMBL28248440 0.80 CYP19A1 (0.46) SLC6A4CYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28248935 0.80 CYP19A1 (0.46) SLC6A4CYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL30740918 0.79 MEN1 (0.47) SIGMAR1CYP19A1HTR2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL30823533 0.78 ADRA2C (0.51) ADRA2CCYP19A1HTR2AALDH1A1MAPT
SCHEMBL2154210 0.75 SMN1; SMN2 (0.49) SLC6A4CYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5099931 0.75 DPP4 (0.53) DPP4MPOSIGMAR1SLC6A4ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449477-B2 7-phenyl-isoquinoline-5-sulfonylamino derivatives as inhibitors of akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-11-11 — — US disclosed
US-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms ELI LILLY AND COMPANY 2007-02-15 — — 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 (1 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-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms POLI, HRAS, CHUK DPP4 651/4885MPO 1536/4885SIGMAR1 3248/4885

“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.

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