SCHEMBL5139722

SCHEMBL5139722

OCC(c1ccccc1)N1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.68
SLC6A2 P23975 12/20 0.68
SLC6A3 Q01959 5/20 0.63
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
OPRL1 P41146 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL14035499 1.00 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL27782829 0.86 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL9816200 0.86 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL12806778 0.83 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL8507420 0.83 OPRL1 (0.63) SLC6A4SLC6A2OPRL1CYP1A2CYP2D6
SCHEMBL1205831 0.83 OPRL1 (0.63) SLC6A4SLC6A2OPRL1CYP1A2CYP2D6
SCHEMBL3583059 0.83 OPRL1 (0.63) SLC6A4SLC6A2OPRL1CYP1A2CYP2D6
SCHEMBL23780908 0.83 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL30330305 0.83 CYP2D6 (0.62) SLC6A4SLC6A2SLC6A3CYP1A2CYP2D6
SCHEMBL12806751 0.82 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0141884-B1 NOVEL PHENYLPIPERAZINE DERIVATIVES, PROCESS FOR PREPARING THEM AND THERAPEUTIC COMPOSITIONS CONTAINING THEM JUSTE, S.A. QUIMICO-FARMACEUTICA (ES) 1988-07-20 EP claimed
EP-0141884-A1 Novel phenylpiperazine derivatives, process for preparing them and therapeutic compositions containing them JUSTE, S.A. QUIMICO-FARMACEUTICA (ES) 1985-05-22 EP claimed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
EP-0141884-B1 NOVEL PHENYLPIPERAZINE DERIVATIVES, PROCESS FOR PREPARING THEM AND THERAPEUTIC COMPOSITIONS CONTAINING THEM JUSTE, S.A. QUIMICO-FARMACEUTICA (ES) 1988-07-20 EP disclosed
EP-0141884-A1 Novel phenylpiperazine derivatives, process for preparing them and therapeutic compositions containing them JUSTE, S.A. QUIMICO-FARMACEUTICA (ES) 1985-05-22 EP disclosed
US-4096260-A Novel indoles ROUSSEL UCLAF (FR) 1978-06-20 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-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 EPHB4, EPHB1, NME2 SLC6A4 2437/4885SLC6A2 3334/4885SLC6A3 3018/4885

“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.