SCHEMBL905364

SCHEMBL905364

CNC(=O)c1cnc(N2CCN(C)CC2)cc1-c1ccccc1C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
CYP1A2 P05177 4/20 0.52
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR3A P46098 1/20 0.46
RAB9A P51151 1/20 0.45
SMO Q99835 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
MAPT P10636 1/20 0.41
CSF1R P07333 1/20 0.41
ALOX15 P16050 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL7137826 0.89 TACR1 (0.47) TACR1L3MBTL1CYP1A2ALDH1A1SMO
SCHEMBL905365 0.88 TACR1 (0.49) TACR1L3MBTL1CYP1A2SMOGPBAR1
SCHEMBL905377 0.88 TACR1 (0.45) TACR1L3MBTL1CYP1A2SMOGPBAR1
SCHEMBL905379 0.88 CYP1A2 (0.54) TACR1CYP1A2CYP2C19ALDH1A1RAB9A
SCHEMBL7558999 0.87 TACR1 (0.56) TACR1L3MBTL1CYP1A2CYP2C19MEN1
SCHEMBL14575924 0.87 TACR1 (0.44) TACR1L3MBTL1CYP1A2HTR3ARAB9A
SCHEMBL29514441 0.86 TACR1 (0.59) TACR1L3MBTL1CYP1A2CYP2C19MEN1
SCHEMBL1399329 0.86 TACR1 (0.59) TACR1L3MBTL1CYP1A2CYP2C19MEN1
SCHEMBL905358 0.86 HTR3A (0.49) TACR1L3MBTL1CYP1A2CYP2C19MEN1
SCHEMBL4672291 0.85 TACR1 (0.43) TACR1L3MBTL1ALDH1A1CYP3A4SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282729-A1 CHEMICAL COMPOUND MANUFACTURE, NEW SALT FORM, AND THERAPEUTIC USES THEREOF EUSTRALIS PHARMACEUTICALS LIMITED (TRADING AS PRESSURA NEURO) (AU) 2025-09-11 US disclosed
US-12351557-B2 Chemical compound manufacture, new salt form, and therapeutic uses thereof EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2025-07-08 US disclosed
US-20220073467-A1 Chemical Compound Manufacture, New Salt Form, And Therapeutic Uses Thereof EUSTRALIS PHARMACEUTICALS LIMITED (TRADING AS PRESSURA NEURO) (AU) 2022-03-10 US disclosed
EP-3902793-A1 CHEMICAL COMPOUND MANUFACTURE, NEW SALT FORM, AND THERAPEUTIC USES THEREOF Eustralis Pharmaceuticals Limited (Trading as Pressura Neuro) (AU) 2021-11-03 EP disclosed
WO-2020132716-A1 CHEMICAL COMPOUND MANUFACTURE, NEW SALT FORM, AND THERAPEUTIC USES THEREOF EUSTRALIS PHARMACEUTICALS LIMITED (TRADING AS PRESSURA NEURO) (AU) 2020-07-02 WO disclosed
WO-2020132716-A1 CHEMICAL COMPOUND MANUFACTURE, NEW SALT FORM, AND THERAPEUTIC USES THEREOF EUSTRALIS PHARMACEUTICALS LIMITED (TRADING AS PRESSURA NEURO) (AU) 2020-07-02 WO disclosed
EP-1394150-B1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists HOFFMANN LA ROCHE (CH) 2011-01-19 EP disclosed
CN-100346789-C Use of nk-1 receptor antagonists for the treatment of brain, spinal or nerve injury HOFFMANN LA ROCHE (CH) 2007-11-07 CN disclosed
CN-1523988-A Use of nk-1 receptor antagonists for the treatment of brain, spinal or nerve injury - 2004-08-25 CN disclosed
EP-1394150-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2004-03-03 EP disclosed
EP-1103546-B1 Process for preparation of pyridine derivatives HOFFMANN LA ROCHE (CH) 2003-10-22 EP disclosed
US-6479483-B2 3,4,6-SUBSTITUTED PYRIDINE DERIVATIVES USEFUL FOR TREATING DEPRESSION AND PAIN, RESULTING FROM INFLAMMATORY CONDITIONS, SUCH AS MIGRAINE, RHEUMATOID ARTHRITIS, ASTHMA AND INFLAMATORY BOWEL DISEASE; NK1 RECEPTOR ANTAGONIST HOFFMANN-LA ROCHE INC. 2002-11-12 US disclosed
US-20020091265-A1 4-phenyl-pyridine derivatives BOS MICHAEL (CA) 2002-07-11 US disclosed
US-6303790-B1 REACTING SUBSTITUTED NICOTINAMIDE WITH GRIGNARD REAGENT, OXIDIZING PRODUCT, REACTING WITH HALO-SUBSTITUTED AROMATIC COMPOUND HOFFMAN-LA ROCHE INC. 2001-10-16 US disclosed
US-6297375-B1 4-phenyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2001-10-02 US disclosed
EP-1103546-A1 Process for preparation of pyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-05-30 EP disclosed
EP-1035115-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2000-09-13 EP 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 (4 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-20250282729-A1 CHEMICAL COMPOUND MANUFACTURE, NEW SALT FORM, AND THERAPEUTIC USES THEREOF SCN5A, MGMT, NISCH TACR1 564/4885L3MBTL1 4373/4885CYP1A2 570/4885
US-20020091265-A1 4-phenyl-pyridine derivatives CBR1, CBR3, HCCS TACR1 534/4885L3MBTL1 1978/4885CYP1A2 1297/4885
US-12351557-B2 Chemical compound manufacture, new salt form, and therapeutic uses thereof SCN5A, MGMT, NISCH TACR1 564/4885L3MBTL1 4373/4885CYP1A2 570/4885
US-20220073467-A1 Chemical Compound Manufacture, New Salt Form, And Therapeutic Uses Thereof SCN5A, MGMT, NISCH TACR1 564/4885L3MBTL1 4373/4885CYP1A2 570/4885

“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.