SCHEMBL10086102

SCHEMBL10086102

CCCCN(C)CCN(C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
KDM4C Q9H3R0 6/20 0.35
KDM5A P29375 4/20 0.35
GGPS1 O95749 4/20 0.33
KDM4A O75164 2/20 0.33
DNM1 Q05193 2/20 0.33
PHF8 Q9UPP1 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL19103231 0.85 CA12 (0.36) CA12CA2CA3CA4CA6
SCHEMBL2975409 0.85
SCHEMBL24424824 0.84 CA12 (0.44) CA12CA2CA3CA4CA6
SCHEMBL18551676 0.84 S1PR2 (0.42) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL9188133 0.82 CA12 (0.47) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL29580877 0.82 CA12 (0.47) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL29581377 0.82 CA12 (0.47) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL12790542 0.79 CHRM2 (0.38) CA12CA2CA3CA4CA6
SCHEMBL10081585 0.79 LMNA (0.33) CA12CA2CA3CA4CA6
SCHEMBL25553147 0.79 CHRM2 (0.52) CA12CA2CA3CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-25 US disclosed
US-10435400-B2 2,4-disubstituted phenylene-1,5-diamine derivatives and applications thereof, and pharmaceutical compositions and pharmaceutically acceptable compositions prepared therefrom Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2019-10-08 US disclosed
US-8101595-B2 Antiviral indoles Istituto di Ricerche di Biologia Molecolare P. Angletti SpA (IT) 2012-01-24 US disclosed
US-20100076046-A1 Antiviral Indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-03-25 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 (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-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF PTH1R, CALCR, VDR S1PR2 907/4885S1PR1 804/4885S1PR3 612/4885
US-20100076046-A1 Antiviral Indoles IDO1, ZC3HAV1, IFNAR1 S1PR2 2586/4885S1PR1 1505/4885S1PR3 1620/4885
US-10435400-B2 2,4-disubstituted phenylene-1,5-diamine derivatives and applications thereof, and pharmaceutical compositions and pharmaceutically acceptable compositions prepared therefrom ERBB2, EGFR, ERBB3 S1PR2 711/4885S1PR1 1214/4885S1PR3 1233/4885

“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.