SCHEMBL432288

SCHEMBL432288

CN1c2ccccc2CCC1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.53
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ACE P12821 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
NOTUM Q6P988 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B3 P37058 1/20 0.41
MTNR1B P49286 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
SCHEMBL8278632 0.85 MTNR1A (0.55) MTNR1AMEN1KMT2AACETSHR
SCHEMBL4271426 0.85 ACE (0.56) MTNR1AMEN1KMT2AACETSHR
SCHEMBL17571770 0.84 MTNR1A (0.53) MTNR1AMEN1KMT2AACETSHR
SCHEMBL12626587 0.83 XIAP (0.47) ACENOTUM
SCHEMBL17559114 0.81 MTNR1A (0.54) MTNR1AMEN1KMT2AACEMAPT
SCHEMBL10246733 0.81 TSHR (0.46) MTNR1AMEN1KMT2AACEALDH1A1
SCHEMBL3113867 0.79 MTNR1A (0.35) MTNR1A
SCHEMBL3113512 0.79 MTNR1A (0.35) MTNR1AACEALDH1A1
SCHEMBL433888 0.78 MTNR1A (0.54) MTNR1AACEALDH1A1TSHRNOTUM
SCHEMBL14055318 0.76 ALDH1A1 (0.40) MTNR1AMEN1KMT2AACEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189049-B1 PHTHALAZINE DERIVATIVES OF FORMULA (I) AS PCAF AND GCN5 INHIBITORS FOR USE IN THE TREATMENT OF CANCER GENENTECH INC (US) 2024-03-20 EP disclosed
CN-107074824-B Phthalazine derivatives of formula (I) as PCAF and GCN5 inhibitors for the treatment of cancer 基因泰克公司 2021-01-08 CN disclosed
US-10155764-B2 Therapeutic compounds and uses thereof GENENTECH, INC (US) 2018-12-18 US disclosed
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 US disclosed
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 US disclosed
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 US disclosed
EP-3189049-A1 PHTHALAZINE DERIVATIVES OF FORMULA (I) AS PCAF AND GCN5 INHIBITORS FOR USE IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2017-07-12 EP disclosed
WO-2016036954-A1 PHTHALAZINE DERIVATIVES OF FORMULA (I) AS PCAF AND GCN5 INHIBITORS FOR USE IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2016-03-10 WO disclosed
WO-2016036954-A1 PHTHALAZINE DERIVATIVES OF FORMULA (I) AS PCAF AND GCN5 INHIBITORS FOR USE IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2016-03-10 WO disclosed
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US disclosed
EP-2450346-A1 Antagonists of the TRPV1 receptor and uses thereof Abbott Laboratories (US) 2012-05-09 EP disclosed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-8030504-B2 Pain, especially, inflammatory hyperalgesia, ostheoarthritic pain, chronic lower pain, allodynia, migraine. Methods of controlling pain and treating bladder overactivity and urinary incontinence ABBOTT LABORATORIES (US) 2011-10-04 US disclosed
EP-2134678-A2 N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Abbott Laboratories (US) 2009-12-23 EP disclosed
WO-2008079683-A2 N- (5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 US 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 (5 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-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 59/4885MEN1 3677/4885KMT2A 4540/4885
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC1 MTNR1A 2150/4885MEN1 2230/4885KMT2A 1394/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 48/4885MEN1 3744/4885KMT2A 4629/4885
US-10155764-B2 Therapeutic compounds and uses thereof HDAC10, HDAC6, HDAC1 MTNR1A 2150/4885MEN1 2230/4885KMT2A 1394/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 59/4885MEN1 3677/4885KMT2A 4540/4885

“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.