SCHEMBL6351432

SCHEMBL6351432

O/N=C(\CN1CCC(c2cnccn2)C1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.48
NAMPT P43490 2/20 0.48
CYP2C9 P11712 1/20 0.48
EPHX2 P34913 1/20 0.48
TMEM97 Q5BJF2 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
DRD2 P14416 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SLC18A3 Q16572 2/20 0.34

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
SCHEMBL6351436 1.00 DRD4 (0.48) DRD4NAMPTCYP2C9EPHX2TMEM97
SCHEMBL6351385 0.89 NAMPT (0.46) DRD4NAMPTCYP2C9EPHX2TMEM97
SCHEMBL6351170 0.89 NAMPT (0.46) DRD4NAMPTCYP2C9EPHX2TMEM97
SCHEMBL6351165 0.89 NAMPT (0.46) DRD4NAMPTCYP2C9EPHX2TMEM97
SCHEMBL6351409 0.87 DRD4 (0.52) DRD4NAMPTCYP2C9EPHX2PDCD1LG2
SCHEMBL6351411 0.87 DRD4 (0.52) DRD4NAMPTCYP2C9EPHX2PDCD1LG2
SCHEMBL6351565 0.87 DRD4 (0.52) DRD4NAMPTCYP2C9EPHX2PDCD1LG2
SCHEMBL6356442 0.84 CYP2C9 (0.54) NAMPTCYP2C9EPHX2TMEM97SIGMAR1
SCHEMBL6349712 0.79 DRD4 (0.58) DRD4NAMPTCYP2C9EPHX2DRD2
SCHEMBL6352358 0.79 DRD4 (0.58) DRD4NAMPTCYP2C9EPHX2DRD2

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-20050176727-A1 Oximes and hydrazones that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2005-08-11 US claimed
US-20050176727-A1 Oximes and hydrazones that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2005-08-11 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-20050176727-A1 Oximes and hydrazones that are useful in treating sexual dysfunction CYP19A1, SHBG, CYP17A1 DRD4 1272/4885NAMPT 2899/4885CYP2C9 290/4885

“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.