SCHEMBL7562816

SCHEMBL7562816

CCC(CC[NH])Nc1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
HTT P42858 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 3/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37

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
SCHEMBL19334564 0.86 MAPT (0.53) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL7559035 0.84 MAPT (0.44) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL10597302 0.80 MAPT (0.47) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL7557585 0.80 MAPT (0.47) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL11782136 0.76 MAPT (0.43) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL13675541 0.76 MAPT (0.43) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL7025738 0.74 CYP3A4 (0.57) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL27851104 0.73 MAPT (0.50) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL8867855 0.72 MAPT (0.46) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL19334573 0.70 CA12 (0.50) MAPTCYP1A2CYP2D6CYP2C9CYP2C19

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-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US claimed
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US disclosed
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US disclosed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 WO 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-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 MAPT 3003/4885HTT 4031/4885CYP1A2 4/4885
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DNPEP, LNPEP, NPEPPS MAPT 1188/4885HTT 760/4885CYP1A2 4756/4885

“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.