SCHEMBL172334

SCHEMBL172334

CCC(C)NCc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
ALDH1A1 P00352 5/20 0.49
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 2/20 0.46
CHRM2 P08172 1/20 0.46
MAPT P10636 2/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
NPC1 O15118 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL21763488 0.86 POLB (0.50) POLBALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL13995681 0.84 ALDH1A1 (0.51) POLBALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL13995298 0.84 ALDH1A1 (0.51) POLBALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL13995837 0.84 ALDH1A1 (0.51) POLBALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL104954 0.83 MAOA (0.53) POLBALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL7093511 0.83 MAOA (0.53) POLBALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL19284972 0.80 POLB (0.45) POLBALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL19284971 0.80 POLB (0.45) POLBALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL29554544 0.80 POLB (0.45) POLBALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL21227150 0.80 ALDH1A1 (0.50) POLBALDH1A1MAOAMAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106275-A1 RADIOLABELED COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-04-07 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 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 (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-20220106275-A1 RADIOLABELED COMPOUNDS AND USES THEREOF PAICS, TMEM14C, SLCO1B1 POLB 1243/4885ALDH1A1 459/4885MAOA 1140/4885

“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.