SCHEMBL4885189

SCHEMBL4885189

CSC(=Nc1ccc(Cl)cc1)N1CCC(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.45
NOS1 P29475 4/20 0.45
NOS2 P35228 4/20 0.45
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LSS P48449 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
SLC22A3 O75751 1/20 0.36
HTR3B O95264 1/20 0.36
PLAU P00749 1/20 0.36
HTR3A P46098 1/20 0.36

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
SCHEMBL14066257 1.00 NOS3 (0.45) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL4885177 1.00 NOS3 (0.45) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL8260289 0.92 NOS3 (0.43) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL8277119 0.80 NOS3 (0.38) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL4882869 0.78 KMT2A (0.46) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL8257533 0.78 KMT2A (0.46) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL4882867 0.78 KMT2A (0.46) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL5434480 0.78 EPHX2 (0.46) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL5434476 0.78 EPHX2 (0.46) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL5440752 0.78 EPHX2 (0.47) NOS3NOS1NOS2MAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 NOS3 1527/4885NOS1 2189/4885NOS2 2790/4885

“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.