SCHEMBL7557589

SCHEMBL7557589

[CH2]CCCCNc1cccc(C)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
HTT P42858 1/20 0.69
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ICMT O60725 1/20 0.43
GFER P55789 1/20 0.42
HDAC1 Q13547 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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
SCHEMBL28997881 0.87 MAPT (0.77) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11111034 0.87 MAPT (0.83) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20197373 0.84 MAPT (0.71) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8373327 0.82 MAPT (1.00) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11319149 0.82 MAPT (0.75) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15230385 0.82 MAPT (0.69) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9116266 0.82 MAPT (0.69) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10581290 0.82 MAPT (0.69) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5609022 0.82 MAPT (0.69) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15229858 0.82 MAPT (0.69) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US claimed
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 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-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 MAPT 3003/4885CYP1A2 4/4885CYP3A4 8/4885

“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.