SCHEMBL4829650

SCHEMBL4829650

Cc1noc([C@H](N)Cc2ccc(-c3ccc(Cl)cc3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SLC6A4 P31645 1/20 0.41
SCN5A Q14524 2/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
FFAR1 O14842 1/20 0.38
DRD2 P14416 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
NOTUM Q6P988 1/20 0.36
PTPN1 P18031 1/20 0.36
ACHE P22303 1/20 0.36
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
MAOB P27338 1/20 0.35
RAB9A P51151 1/20 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
SCHEMBL4823412 0.87 TP53 (0.48) NOTUMMAOB
SCHEMBL4829762 0.87 CYP19A1 (0.43) FFAR1PTPN1ACHESMN1; SMN2KMT2A
SCHEMBL3996630 0.86 DPP4 (0.38) DPP4
SCHEMBL4827765 0.86 DPP4 (0.38) DPP4
SCHEMBL4832003 0.86 TPH1 (0.43) PTPN1ACHESMN1; SMN2DPP4MAOB
Hydrochloric Acid SCHEMBL4831555 0.85 DPP4 (0.37) DPP4
Hydrochloric Acid SCHEMBL4831560 0.85 DPP4 (0.37) DPP4
SCHEMBL4829454 0.84 CYP17A1 (0.43) PTPN1ACHECYP1A2DPP4ROCK2
SCHEMBL4829663 0.83 LMNA (0.48) DPP4DPP7MAOB
SCHEMBL4827762 0.82 S1PR1 (0.42) NR1H4DPP4DPP7

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-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO SLC6A2 4192/4885SLC6A3 3930/4885SLC6A4 4242/4885

“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.