SCHEMBL5866416

SCHEMBL5866416

O=C(OCc1ccccc1)N1CCC(N(CCCNC(=O)C(F)(F)F)C(=O)C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.48
CYP2C19 P33261 1/20 0.47
OPRD1 P41143 1/20 0.45
GRIN2B Q13224 9/20 0.43
CYP2D6 P10635 4/20 0.43
CYP2C9 P11712 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 3/20 0.41
ENPP2 Q13822 2/20 0.41
GPR119 Q8TDV5 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL5866406 0.94 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL6971038 0.82 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL3630271 0.78 GRIN2B (0.62) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL14377378 0.76 HTT (0.47) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL13303078 0.73 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL20494874 0.72 HTT (0.50) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL16095894 0.72 HTT (0.50) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL15617322 0.72 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL14800843 0.72 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL28855466 0.72 MEN1 (0.50) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053213-B2 Therapeutic heterocycles ASTRAZENECA AB (SE) 2006-05-30 US disclosed
EP-1307202-B1 METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2006-05-17 EP disclosed
US-20040248914-A1 Method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2004-12-09 US disclosed
EP-1450805-A1 METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER AstraZeneca AB (SE) 2004-09-01 EP disclosed
US-20030187255-A1 Therapeutic heterocycles MILLER SCOTT CARSON (US) 2003-10-02 US disclosed
US-20030139433-A1 Method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2003-07-24 US disclosed
WO-2003037341-A1 METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
EP-1307202-A1 METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER AstraZeneca AB (SE) 2003-05-07 EP disclosed
US-6444809-B1 ANTIHISTAMINES ZENECA LIMITED (GB) 2002-09-03 US disclosed
WO-2001097811-A1 METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2001-12-27 WO 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
EP-0714392-B1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LTD (GB) 1998-11-04 EP disclosed
US-5567700-A USEFUL FOR TREATING ASTHMA ZENECA LIMITED (GB) 1996-10-22 US disclosed
EP-0714392-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1996-06-05 EP 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 (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-20040248914-A1 Method for the treatment of overactive bladder TACR1, TACR2, OGFR SMN1; SMN2 3444/4885NPC1 3577/4885RAB9A 2716/4885
US-20030139433-A1 Method for the treatment of overactive bladder QDPR, PDE3A, HNMT SMN1; SMN2 1028/4885NPC1 4570/4885RAB9A 3779/4885
US-20030187255-A1 Therapeutic heterocycles BDKRB2, TK2, TACR2 SMN1; SMN2 1152/4885NPC1 387/4885RAB9A 2698/4885

“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.