SCHEMBL991059

SCHEMBL991059

CC(Cl)OC(=O)N(C)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.57
CHRNB4 P30926 1/20 0.57
CHRNA3 P32297 1/20 0.57
CHRNA4 P43681 1/20 0.57
HPGD P15428 2/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 4/20 0.47
RIPK1 Q13546 1/20 0.46
HSP90AA1 P07900 1/20 0.45
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL2969425 0.87 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4HPGD
SCHEMBL28627064 0.80 ALDH1A1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4HPGD
SCHEMBL28189112 0.79 TSHR (0.58) CHRNB2CHRNB4CHRNA3CHRNA4HPGD
SCHEMBL21538629 0.78 HPGD (0.68) CHRNB2CHRNB4CHRNA3CHRNA4HPGD
SCHEMBL2095210 0.78 NPC1 (0.67) CHRNB2CHRNB4CHRNA3CHRNA4HPGD
SCHEMBL3396666 0.77 NPC1 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4HPGD
SCHEMBL698418 0.77 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4HPGD
SCHEMBL2095207 0.76 NPC1 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4HPGD
SCHEMBL10897210 0.76 HPGD (0.65) HPGDNPC1RAB9ACA12CA9
SCHEMBL21995358 0.76 ALDH1A1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4HPGD

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782382-B2 TOFA analogs useful in treating dermatological disorders or conditions DERMIRA (CANADA), INC. (US) 2017-10-10 US disclosed
US-9782382-B2 TOFA analogs useful in treating dermatological disorders or conditions DERMIRA (CANADA), INC. (US) 2017-10-10 US disclosed
US-9782382-B2 TOFA analogs useful in treating dermatological disorders or conditions DERMIRA (CANADA), INC. (US) 2017-10-10 US disclosed
US-20160338988-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS DERMIRA (CANADA) INC (US) 2016-11-24 US disclosed
US-20160338988-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS DERMIRA (CANADA) INC (US) 2016-11-24 US disclosed
US-20160338988-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS DERMIRA (CANADA) INC (US) 2016-11-24 US disclosed
US-9434718-B2 TOFA analogs useful in treating dermatological disorders or conditions DERMIRA (CANADA), INC. (US) 2016-09-06 US disclosed
US-9434718-B2 TOFA analogs useful in treating dermatological disorders or conditions DERMIRA (CANADA), INC. (US) 2016-09-06 US disclosed
US-9434718-B2 TOFA analogs useful in treating dermatological disorders or conditions DERMIRA (CANADA), INC. (US) 2016-09-06 US disclosed
EP-2641906-B1 Tofa analogs useful in treating dermatological disorders or conditions DERMIRA CANADA INC (US) 2015-04-22 EP disclosed
EP-2641906-A1 Tofa analogs useful in treating dermatological disorders or conditions Dermira (Canada), Inc. (US) 2013-09-25 EP disclosed
EP-2641906-A1 Tofa analogs useful in treating dermatological disorders or conditions Dermira (Canada), Inc. (US) 2013-09-25 EP disclosed
EP-2451796-B1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS DERMIRA CANADA INC (US) 2013-04-17 EP disclosed
EP-2451796-B1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS DERMIRA CANADA INC (US) 2013-04-17 EP disclosed
US-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS Valocor Therapeutics, Inc. (CA) 2012-08-16 US disclosed
US-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS Valocor Therapeutics, Inc. (CA) 2012-08-16 US disclosed
US-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS Valocor Therapeutics, Inc. (CA) 2012-08-16 US disclosed
EP-2451796-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS Dermira (Canada), Inc. (CA) 2012-05-16 EP disclosed
WO-2011005660-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS Valocor Therapeutics, Inc. (CA) 2011-01-13 WO disclosed
WO-2011005660-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS Valocor Therapeutics, Inc. (CA) 2011-01-13 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 (2 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-20160338988-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP CHRNB2 4663/4885CHRNB4 4700/4885CHRNA3 4502/4885
US-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP CHRNB2 4618/4885CHRNB4 4678/4885CHRNA3 4495/4885

“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.