SCHEMBL7396303

SCHEMBL7396303

CN(C)CCOc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.58
CHRNA4 P43681 1/20 0.58
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 3/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP19A1 P11511 6/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL29458124 1.00 CHRNB2 (0.58) CHRNB2CHRNA4MAPTSMN1; SMN2HPGD
SCHEMBL9099265 0.92 CHRNB2 (0.51) CHRNB2CHRNA4MAPTSMN1; SMN2HPGD
SCHEMBL29769084 0.89 MAPT (0.62) CHRNB2CHRNA4MAPTSMN1; SMN2HPGD
SCHEMBL3442514 0.89 MAPT (0.62) CHRNB2CHRNA4MAPTSMN1; SMN2HPGD
SCHEMBL4548252 0.84 CHRNB2 (0.59) CHRNB2CHRNA4MAPTALDH1A1CYP3A4
SCHEMBL5509909 0.84 CHRNB2 (0.59) CHRNB2CHRNA4ALDH1A1CYP3A4CYP19A1
SCHEMBL1663340 0.84 CYP19A1 (0.59) MAPTSMN1; SMN2HPGDRAB9ALMNA
SCHEMBL5275797 0.83 CHRNB2 (0.58) CHRNB2CHRNA4MAPTSMN1; SMN2HPGD
SCHEMBL1219905 0.83 CHRNB2 (0.58) CHRNB2CHRNA4MAPTSMN1; SMN2HPGD
SCHEMBL7399032 0.83 CHRNB2 (0.58) CHRNB2CHRNA4MAPTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138974-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH S L (ES) 2026-05-21 US disclosed
US-12540133-B2 Potent and selective compounds as serotonin 1B receptor modulators LEUKOS BIOTECH, S.L. (ES) 2026-02-03 US disclosed
EP-4445901-A2 NEW POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS Leukos Biotech, S.L. (ES) 2024-10-16 EP disclosed
EP-4225753-B1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH S L (ES) 2024-07-31 EP disclosed
US-20240166639-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH, S.L. (ES) 2024-05-23 US disclosed
EP-4225753-A1 POTENT AND SELCTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS Leukos Biotech, S.L. (ES) 2023-08-16 EP disclosed
EP-0777650-B1 BIPHENYLAMIDE DERIVATIVES AS 5HT 1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-03-07 EP disclosed
US-5889022-A Indole, indoline and quinoline derivatives with 5HT1D (anti-depressive) activity SMITHKLINE BEECHAM, P.L.C. (GB) 1999-03-30 US disclosed
WO-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed
US-5817833-A Biphenylamide compounds as 5HT1D Antagonists SMITHKLINE BEECHAM P.L.C. (GB) 1998-10-06 US disclosed
US-5801170-A Heterocyclic biphenylylamides useful as 5HT1D antagonists SMITHKLINE BEECHAM PLC (GB) 1998-09-01 US disclosed
EP-0736023-B1 INDOLE, INDOLINE AND QUINOLINE DERIVATIVES WITH 5HT 1D (ANTI-DEPRESSIVE) ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-07-08 EP disclosed
EP-0777650-A1 BIPHENYLAMIDE DERIVATIVES AS 5HT 1D? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-06-11 EP disclosed
EP-0736023-A1 INDOLE, INDOLINE AND QUINOLINE DERIVATIVES WITH 5HT 1D? (ANTI-DEPRESSIVE) ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-10-09 EP disclosed
EP-0733048-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-09-25 EP disclosed
WO-1996006079-A1 BIPHENYLAMIDE DERIVATIVES AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-02-29 WO disclosed
WO-1995017398-A1 INDOLE, INDOLINE AND QUINOLINE DERIVATIVES WITH 5HT1D (ANTI-DEPRESSIVE) ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-06-29 WO disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 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 (3 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-20260138974-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS HTR3B, HTR1B, HTR1A CHRNB2 104/4885CHRNA4 113/4885MAPT 4778/4885
US-12540133-B2 Potent and selective compounds as serotonin 1B receptor modulators HTR3B, HTR1A, HTR1B CHRNB2 113/4885CHRNA4 95/4885MAPT 4759/4885
US-20240166639-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS HTR1B, HTR1A, HTR3B CHRNB2 200/4885CHRNA4 291/4885MAPT 4059/4885

“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.