SCHEMBL24495341

SCHEMBL24495341

C[C@@H](NCCN1c2ccccc2Sc2ccccc21)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.51
SNCA P37840 1/20 0.50
PTGS1 P23219 3/20 0.49
PTGS2 P35354 2/20 0.49
CYP2D6 P10635 4/20 0.49
LMNA P02545 3/20 0.49
CHRM2 P08172 3/20 0.49
HTR1A P08908 3/20 0.49
ADRA2A P08913 3/20 0.49
CHRM1 P11229 3/20 0.49
DRD1 P21728 3/20 0.49
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
ADRA1A P35348 3/20 0.49
OPRM1 P35372 3/20 0.49
DRD3 P35462 3/20 0.49
HTR2B P41595 3/20 0.49
KCNH2 Q12809 3/20 0.49
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 2/20 0.49

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
SCHEMBL29713602 1.00 KDM1A (0.51) KDM1ASNCAPTGS1PTGS2CYP2D6
SCHEMBL29713594 0.89 KDM1A (0.47) KDM1ASNCAPTGS1PTGS2CYP2D6
SCHEMBL24495137 0.89 KDM1A (0.47) KDM1ASNCAPTGS1PTGS2CYP2D6
SCHEMBL24495082 0.79 SLC6A4 (0.54) CYP2D6LMNACHRM2HTR1AADRA2A
SCHEMBL24495146 0.73 BCHE (0.65) CYP2D6HTR1ASLC6A4DRD3HTR2B
SCHEMBL29713582 0.73 BCHE (0.65) CYP2D6HTR1ASLC6A4DRD3HTR2B
SCHEMBL3881700 0.73 CYP3A4 (0.76) CYP2D6LMNACHRM2HTR1AADRA2A
SCHEMBL5471668 0.73 CYP3A4 (0.76) CYP2D6LMNACHRM2HTR1AADRA2A
SCHEMBL24406703 0.73 CYP3A4 (0.76) CYP2D6LMNACHRM2HTR1AADRA2A
SCHEMBL3881699 0.73 CYP3A4 (0.76) CYP2D6LMNACHRM2HTR1AADRA2A

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-12043602-B2 Fendiline derivatives THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-07-23 US disclosed
US-12043602-B2 Fendiline derivatives THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-07-23 US disclosed
US-20220177440-A1 Fendiline Derivatives THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2022-06-09 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-12043602-B2 Fendiline derivatives CYP11B2, CYP3A7, CYP4F2 KDM1A 2655/4885SNCA 1460/4885PTGS1 467/4885
US-20220177440-A1 Fendiline Derivatives CYP11B2, CYP3A7, CYP4F2 KDM1A 2655/4885SNCA 1460/4885PTGS1 467/4885

“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.