SCHEMBL14428458

SCHEMBL14428458

CC(C)(C)CCCc1c[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.62
HTR2A P28223 4/20 0.57
CYP3A4 P08684 4/20 0.57
CYP2D6 P10635 3/20 0.57
HTR2C P28335 2/20 0.57
HTR6 P50406 2/20 0.57
CYP1A2 P05177 2/20 0.57
MPO P05164 1/20 0.57
CYP2A6 P11509 1/20 0.57
NFKB1 P19838 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR7 P34969 1/20 0.57
CTSK P43235 1/20 0.57
CYP2A13 Q16696 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
HTR1A P08908 4/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HTR2B P41595 1/20 0.57

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
SCHEMBL1753696 0.90 HTR2A (0.61) SLC6A4HTR2ACYP3A4CYP2D6HTR2C
SCHEMBL7005718 0.84 HTR2A (0.71) SLC6A4HTR2ACYP3A4CYP2D6HTR2C
SCHEMBL7004146 0.84 HTR2A (0.71) SLC6A4HTR2ACYP3A4CYP2D6HTR2C
SCHEMBL7004071 0.82 HTR2A (0.69) SLC6A4HTR2ACYP3A4CYP2D6HTR2C
SCHEMBL7889427 0.82 HTR2A (0.69) SLC6A4HTR2ACYP3A4CYP2D6HTR2C
SCHEMBL7001306 0.82 HTR2A (0.69) SLC6A4HTR2ACYP3A4CYP2D6HTR2C
SCHEMBL266641 0.81 SLC6A4 (0.68) SLC6A4HTR2ACYP3A4CYP2D6HTR2C
SCHEMBL14161475 0.80 HTR2A (0.57) SLC6A4HTR2ACYP3A4CYP2D6HTR2C
SCHEMBL21846455 0.80 SLC6A4 (0.51) SLC6A4HTR2ACYP3A4CYP2D6HTR2C
SCHEMBL4985934 0.80 HTR2A (0.77) SLC6A4HTR2ACYP3A4CYP2D6HTR2C

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-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2023-12-05 US disclosed
US-20070185115-A1 Novel ureido-and amido-pyrazolone derivatives ASTON UNIVERSITY (GB) 2007-08-09 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-20070185115-A1 Novel ureido-and amido-pyrazolone derivatives CCKAR, CCKBR, GRPR SLC6A4 1104/4885HTR2A 339/4885CYP3A4 1582/4885
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases KEAP1, GOT2, COL1A1 SLC6A4 4330/4885HTR2A 4186/4885CYP3A4 2517/4885

“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.