SCHEMBL317566

SCHEMBL317566

CC(C)CCNc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 3/20 0.60
ALOX12 P18054 1/20 0.60
CYP2C19 P33261 3/20 0.59
CYP1A2 P05177 3/20 0.56
CXCR4 P61073 1/20 0.52
FABP1 P07148 1/20 0.50
FABP6 P51161 1/20 0.50
CYP2D6 P10635 1/20 0.47
FDPS P14324 1/20 0.46
PCSK9 Q8NBP7 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL7442415 0.89 CYP2C19 (0.56) ALDH1A1KDM4EALOX12CYP2C19CYP1A2
SCHEMBL23081588 0.88 CYP2C19 (0.54) ALDH1A1KDM4EALOX12CYP2C19CYP1A2
SCHEMBL28657675 0.86 CYP2C19 (0.56) ALDH1A1KDM4EALOX12CYP2C19CYP1A2
SCHEMBL29641253 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EALOX12CYP2C19CYP1A2
SCHEMBL3265804 0.82 CYP1A2 (0.70) ALDH1A1KDM4ECYP2C19CYP1A2CXCR4
SCHEMBL7448193 0.81 CYP2D6 (0.59) ALDH1A1KDM4EALOX12CYP2C19CYP1A2
SCHEMBL11166206 0.80 CYP2D6 (0.58) KDM4ECYP2C19CYP1A2CXCR4FABP1
SCHEMBL24485296 0.80 CYP2C19 (0.57) ALDH1A1KDM4EALOX12CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL10885224 0.79 CYP2D6 (0.57) ALDH1A1KDM4EALOX12CYP2C19CYP1A2
SCHEMBL19874496 0.79 CYP1A2 (0.53) ALDH1A1KDM4EALOX12CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267561-A1 SMALL-MOLECULE MODULATORS OF THE ORPHAN NUCLEAR RECEPTOR TLX Baylor College of Medicine (US) 2023-11-01 EP claimed
WO-2022140643-A1 SMALL-MOLECULE MODULATORS OF THE ORPHAN NUCLEAR RECEPTOR TLX BAYLOR COLLEGE OF MEDICINE (US) 2022-06-30 WO claimed
EP-2585069-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP claimed
WO-2012006004-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 WO claimed
US-11666658-B2 Rifamycin analogs and antibody-drug conjugates thereof Regeneran Pharmaceuticals, Inc. (US) 2023-06-06 US disclosed
US-20200368361-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2020-11-26 US disclosed
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 US disclosed
US-7642245-B2 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2010-01-05 US disclosed
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2007-06-21 US disclosed
WO-2005003103-A2 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ASTRAZENECA AB (SE) 2005-01-13 WO disclosed
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 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 (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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 ALDH1A1 3137/4885KDM4E 662/4885ALOX12 2762/4885
US-20200368361-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF ASGR1, CUTA, SRPRA ALDH1A1 3411/4885KDM4E 4223/4885ALOX12 3701/4885
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif AADAC, MRPL21, HDAC6 ALDH1A1 1422/4885KDM4E 1853/4885ALOX12 4499/4885
US-11666658-B2 Rifamycin analogs and antibody-drug conjugates thereof ASGR1, CUTA, SRPRA ALDH1A1 3411/4885KDM4E 4223/4885ALOX12 3701/4885

“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.