SCHEMBL350930

SCHEMBL350930

OC(CN1CCNCC1c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
GRIN2B Q13224 1/20 0.39

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
SCHEMBL10630089 0.92 SLC18A3 (0.43) SLC18A3SIGMAR1LMNAKDM4EGRIN2B
Hydrochloric Acid SCHEMBL10632236 0.91 SLC18A3 (0.43) SLC18A3SIGMAR1LMNAKDM4EGRIN2B
SCHEMBL10632309 0.91 SLC18A3 (0.43) SLC18A3SIGMAR1LMNAGAAKDM4E
SCHEMBL10627836 0.89 SLC6A2 (0.43) SLC18A3SIGMAR1LMNAOPRM1OPRD1
SCHEMBL10632529 0.89 CHRNA7 (0.43) SLC18A3SIGMAR1LMNAGAAKDM4E
SCHEMBL10630176 0.88 SLC6A4 (0.43) LMNAMEN1KMT2AOPRD1GRIN2B
SCHEMBL10630120 0.88 SLC6A2 (0.43) SLC18A3SIGMAR1LMNAGAAKDM4E
SCHEMBL10627784 0.88 SLC6A2 (0.41) SLC18A3MEN1KMT2AKDM4EGRIN2B
SCHEMBL10632281 0.88 SLC6A2 (0.42) SLC18A3SIGMAR1LMNAMEN1KMT2A
SCHEMBL10627896 0.86 KDM4E (0.39) SLC18A3SIGMAR1LMNAMEN1KMT2A

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
US-20120016124-A1 SEROTONIN REUPTAKE INHIBITORS BAYLOR UNIVERSITY (US) 2012-01-19 US disclosed
US-7893261-B2 bi-functional organic molecules which combine serotonin transporter reuptake inhibition with serotonin (5-HT, such as 5-HT2A) receptor antagonism in one molecular entity BAYLOR UNIVERSITY (US) 2011-02-22 US disclosed
US-20080132514-A1 Serotonin Reuptake Inhibitors BAYLOR UNIVERSITY 2008-06-05 US disclosed
EP-1732610-A2 TARGETED SEROTONIN REUPTAKE INHIBITORS BAYLOR UNIVERSITY (US) 2006-12-20 EP disclosed
WO-2005094896-A2 TARGETED SEROTONIN REUPTAKE INHIBITORS BAYLOR UNIVERSITY (US) 2005-10-13 WO disclosed
US-4772705-A Processes for the preparation of trans 1,3,4,6,7,11b-hexahydro-7-aryl-2H-pyrazinol[2,1-a]isoquinolines PENNWALT CORPORATION (US) 1988-09-20 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 (2 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-20120016124-A1 SEROTONIN REUPTAKE INHIBITORS HTR2A, HTR2C, HTR1A SLC18A3 48/4885SIGMAR1 53/4885LMNA 4352/4885
US-20080132514-A1 Serotonin Reuptake Inhibitors HTR2A, HTR2C, HTR1A SLC18A3 48/4885SIGMAR1 53/4885LMNA 4352/4885

“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.