SCHEMBL14422982

SCHEMBL14422982

CCC1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
GAA P10253 3/20 0.54
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.49
PTGES2 Q9H7Z7 1/20 0.41
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 3/20 0.38
MCHR1 Q99705 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SPR P35270 1/20 0.38
MAPK14 Q16539 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL1593832 0.92 ALDH1A1 (0.57) ALDH1A1GAAPOLBL3MBTL1PTGES2
SCHEMBL1594066 0.89 ALDH1A1 (0.61) ALDH1A1GAAPOLBL3MBTL1PTGES2
SCHEMBL1594280 0.89 ALDH1A1 (0.60) ALDH1A1GAAPOLBL3MBTL1PTGES2
SCHEMBL1595811 0.89 ALDH1A1 (0.60) ALDH1A1GAAPOLBL3MBTL1PTGES2
SCHEMBL1594739 0.88 ALDH1A1 (0.68) ALDH1A1GAAPOLBL3MBTL1PTGES2
SCHEMBL1594219 0.88 ALDH1A1 (0.59) ALDH1A1GAAPOLBL3MBTL1PTGES2
SCHEMBL1594170 0.88 ALDH1A1 (0.59) ALDH1A1GAAPOLBL3MBTL1PTGES2
SCHEMBL1593625 0.88 CYP2C9 (0.55) ALDH1A1GAAPOLBSMN1; SMN2MAPK14
SCHEMBL1596435 0.87 ALDH1A1 (0.64) ALDH1A1GAAPOLBL3MBTL1RAB9A
SCHEMBL18241019 0.86 ALDH1A1 (0.55) ALDH1A1GAAPOLBL3MBTL1PTGES2

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-20070203154-A1 Therapeutic Compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 US disclosed
US-20070203154-A1 Therapeutic Compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 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-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B ALDH1A1 455/4885GAA 76/4885POLB 1119/4885

“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.