SCHEMBL2187939

SCHEMBL2187939

O[C@H]1CN(Cc2ccccc2)CC[C@@H]1N1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 8/20 0.76
ALDH1A1 P00352 1/20 0.57
FUCA1 P04066 2/20 0.55
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL2187943 1.00 SLC18A3 (0.76) SLC18A3ALDH1A1FUCA1HTR1ADRD2
SCHEMBL2187946 1.00 SLC18A3 (0.76) SLC18A3ALDH1A1FUCA1HTR1ADRD2
SCHEMBL2191616 0.99 SLC18A3 (0.74) SLC18A3ALDH1A1FUCA1HTR1ADRD2
SCHEMBL2191620 0.99 SLC18A3 (0.74) SLC18A3ALDH1A1FUCA1HTR1ADRD2
SCHEMBL2191623 0.99 SLC18A3 (0.74) SLC18A3ALDH1A1FUCA1HTR1ADRD2
SCHEMBL13229630 0.87 FUCA1 (0.61) SLC18A3ALDH1A1FUCA1SIGMAR1
SCHEMBL8522225 0.86 SLC18A3 (0.69) SLC18A3SIGMAR1CYP1A2CYP2D6
SCHEMBL23535598 0.82 SLC18A3 (0.64) SLC18A3ALDH1A1FUCA1SIGMAR1
SCHEMBL23535597 0.82 SLC18A3 (0.64) SLC18A3ALDH1A1FUCA1SIGMAR1
SCHEMBL23535599 0.82 SLC18A3 (0.64) SLC18A3ALDH1A1FUCA1SIGMAR1

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
EP-2351738-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO)PIPERIDIN-3-OL Sumitomo Chemical Company, Limited (JP) 2011-08-03 EP disclosed
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-14 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-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL TEAD4, TEAD3, TEAD2 SLC18A3 1096/4885ALDH1A1 93/4885FUCA1 2251/4885

“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.