SCHEMBL4852440

SCHEMBL4852440

CC(C)NCCc1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.63
SLC6A2 P23975 3/20 0.55
SLC6A4 P31645 1/20 0.55
SLC6A3 Q01959 1/20 0.55
LMNA P02545 1/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
CASR P41180 2/20 0.46
AOC3 Q16853 1/20 0.46
HTR2A P28223 2/20 0.45
HTR1A P08908 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
HRH2 P25021 1/20 0.45
HTR2C P28335 1/20 0.45
HRH1 P35367 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 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
SCHEMBL2471237 0.80 LMNA (0.64) TAAR1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL21345586 0.78 TAAR1 (0.50) TAAR1SLC6A2ADRB2ADRB1HTR2A
SCHEMBL22762048 0.78 TAAR1 (0.59) TAAR1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL14438295 0.78 MEN1 (0.57) CNR1GPR84IDO1
SCHEMBL680414 0.78 TAAR1 (1.00) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL10834316 0.77 TAAR1 (0.69) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL25453155 0.77 MPO (0.56) TAAR1SLC6A4HTR1AHIF1A
SCHEMBL12312602 0.77 TAAR1 (0.63) TAAR1SLC6A2AOC3HTR2ACNR1
SCHEMBL11023397 0.77 TAAR1 (0.63) TAAR1SLC6A2LMNAADRB2ADRB1
SCHEMBL11155402 0.77 TAAR1 (0.48) TAAR1SLC6A2ADRB2ADRB1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-9458110-B2 Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-9422308-B2 Derivatives of docosahexaenoylethanolamide and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-08-23 US disclosed
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY (US) 2016-01-21 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-9126944-B2 Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-08 US disclosed
US-20150031878-A1 DERIVATIVES OF DOCOSAHEXAENOYLETHANOLAMIDE AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2015-01-29 US disclosed
US-20140243338-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-08-28 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 WO disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 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 (9 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E TAAR1 3387/4885SLC6A2 1082/4885SLC6A4 1120/4885
US-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TAAR1 634/4885SLC6A2 269/4885SLC6A4 790/4885
US-20150031878-A1 DERIVATIVES OF DOCOSAHEXAENOYLETHANOLAMIDE AND USES THEREOF GAP43, DGAT2, DCX TAAR1 1510/4885SLC6A2 1613/4885SLC6A4 1708/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 TAAR1 2640/4885SLC6A2 1134/4885SLC6A4 458/4885
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R TAAR1 189/4885SLC6A2 2764/4885SLC6A4 2800/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TAAR1 634/4885SLC6A2 269/4885SLC6A4 790/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE TAAR1 1727/4885SLC6A2 294/4885SLC6A4 914/4885
US-20140243338-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS ROCK1, ROCK2, MYLK TAAR1 3329/4885SLC6A2 2422/4885SLC6A4 3205/4885
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS ROCK1, ROCK2, MYLK TAAR1 3329/4885SLC6A2 2422/4885SLC6A4 3205/4885

“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.