SCHEMBL7045680

SCHEMBL7045680

CC(=O)OCC[C@H](CNC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 5/20 0.47
HPGD P15428 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MCHR1 Q99705 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 1/20 0.41
EPHX2 P34913 1/20 0.41
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR3 Q99500 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 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
SCHEMBL5866364 1.00 TACR2 (0.47) TACR2HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL6665274 0.91 SLC6A2 (0.48) HPGDSLC6A2SLC6A4SLC6A3NPC1
SCHEMBL6665281 0.91 SLC6A2 (0.48) HPGDSLC6A2SLC6A4SLC6A3NPC1
SCHEMBL9078698 0.85 CYP3A4 (0.42) TACR2HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL6161768 0.83 NPC1 (0.49) TACR2HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL5866425 0.83 NPC1 (0.49) TACR2HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL6161881 0.82 TACR2 (0.41) TACR2SLC6A2SLC6A4SLC6A3NPC1
SCHEMBL6663255 0.82 CYP3A4 (0.41) TACR2HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL6663261 0.82 CYP3A4 (0.41) TACR2HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL8554659 0.81 HPGD (0.45) TACR2HPGDSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187255-A1 Therapeutic heterocycles MILLER SCOTT CARSON (US) 2003-10-02 US disclosed
US-6444809-B1 ANTIHISTAMINES ZENECA LIMITED (GB) 2002-09-03 US disclosed
US-6124279-A NEUROKININ A ANTAGONISTS, ANTIASTHMATIC AGENTS ZENECA LIMITED (GB) 2000-09-26 US disclosed
US-5990130-A NOVEL 4-SUBSTITUTED PIPERIDINE DERIVATIVES WHICH ANTAGONIZE NEUROKININ; USEFUL IN TREATMENT OF ASMTHMA AND RELATED CONDITIONS ZENECA LIMITED (GB) 1999-11-23 US disclosed
US-5861392-A NONPEPTIDE ANTAGONISTS OF NEUROKININ A USEFUL FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1999-01-19 US disclosed
US-5677317-A Lactam compounds which are useful in the treatment of asthma ZENECA LIMITED (GB) 1997-10-14 US disclosed
US-5567700-A USEFUL FOR TREATING ASTHMA ZENECA LIMITED (GB) 1996-10-22 US disclosed
EP-0726893-A1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1996-08-21 EP disclosed
US-5534525-A Lactam derivatives ZENECA LIMITED (GB) 1996-07-09 US disclosed
EP-0714392-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1996-06-05 EP disclosed
WO-1995012577-A1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1995-05-11 WO disclosed
WO-1995005377-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-02-23 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 (1 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-20030187255-A1 Therapeutic heterocycles BDKRB2, TK2, TACR2 TACR2 3/4885HPGD 79/4885SLC6A2 1479/4885

“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.