SCHEMBL19853582

SCHEMBL19853582

Cc1nc(CCN2CCC(C)CC2)cs1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
ACHE P22303 1/20 0.46
PKM P14618 1/20 0.46
CHRNA7 P36544 1/20 0.41
SIGMAR1 Q99720 3/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT1 Q99873 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL18772814 0.85 PKM (0.44) PKMMAPTALDH1A1KDM4EKMT2A
SCHEMBL10031019 0.72 PKM (0.51) PKMMAPTALDH1A1HTTKMT2A
SCHEMBL2095527 0.69
SCHEMBL9103382 0.69 HRH3 (0.42) HRH3ACHEPKMKMT2A
SCHEMBL14266781 0.68 KMT2A (0.54) LMNAALDH1A1KDM4EKMT2A
SCHEMBL17828182 0.68 HRH3 (0.61) HRH3ACHECHRNA7SIGMAR1
SCHEMBL12424420 0.68 HRH1 (0.46) HRH3ACHELMNAALDH1A1
SCHEMBL12058782 0.67 KMT2A (0.53) LMNAALDH1A1KMT2A
SCHEMBL12126050 0.67 KMT2A (0.53) PKMLMNAALDH1A1KMT2A
SCHEMBL1107413 0.67

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-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 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-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 HRH3 253/4885ACHE 599/4885PKM 2261/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 HRH3 253/4885ACHE 599/4885PKM 2261/4885

“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.