SCHEMBL19853515

SCHEMBL19853515

CC1CCN(Cc2nnn[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.42
HRH3 Q9Y5N1 3/20 0.42
ALDH1A1 P00352 4/20 0.41
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
PARP1 P09874 1/20 0.36
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT1 Q99873 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL25013989 0.83 HRH3 (0.45) ACHEHRH3ALDH1A1CARM1PRMT6
SCHEMBL14569839 0.80 ALDH1A1 (0.42) ALDH1A1DRD4DRD3PRMT6ALOX15
SCHEMBL17002547 0.80 ALOX15 (0.38) HRH3ALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL6475272 0.77 ALOX15 (0.36) ALOX15
SCHEMBL458869 0.77 SIGMAR1 (0.40) HRH3ALDH1A1ALOX15
SCHEMBL4982004 0.75 HPGD (0.43) HRH3ALDH1A1ALOX15KDM4ESMN1; SMN2
SCHEMBL17002581 0.72 ALDH1A1 (0.31) ALDH1A1ALOX15
SCHEMBL19655652 0.71
SCHEMBL20474002 0.71 DRD4 (0.43) ALDH1A1DRD2DRD4DRD3KDM4E
SCHEMBL19884754 0.70 LMNA (0.39) ALDH1A1RAB9ANPC1KDM4ENPSR1

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 ACHE 599/4885HRH3 253/4885ALDH1A1 2339/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 ACHE 599/4885HRH3 253/4885ALDH1A1 2339/4885

“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.