SCHEMBL1997077

SCHEMBL1997077

CC1(C(=O)O)CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.50
HDAC9 Q9UKV0 1/20 0.47
HCAR2 Q8TDS4 1/20 0.45
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
KDM1A O60341 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
MAOB P27338 1/20 0.41
TSHR P16473 1/20 0.40
AKR1C1 Q04828 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
SCHEMBL31277682 1.00 PIN1 (0.50) PIN1HDAC9HCAR2ALDH1A1TP53
SCHEMBL4851505 0.89 KDM1A (0.50) PIN1HDAC9KDM1AAKR1C1
SCHEMBL15026087 0.85 PIN1 (0.50) PIN1HDAC9HCAR2ALDH1A1TP53
SCHEMBL14537318 0.85 PIN1 (0.50) PIN1HDAC9HCAR2ALDH1A1TP53
SCHEMBL2055553 0.84 PIN1 (0.49) PIN1HDAC9HCAR2ALDH1A1TP53
SCHEMBL3136514 0.81 ALDH1A1 (0.40) ALDH1A1TDP1LMNAAKR1C1
SCHEMBL18736676 0.81 HDAC9 (0.59) PIN1HDAC9ALDH1A1TP53
SCHEMBL1471124 0.81 PIN1 (0.53) PIN1HDAC9HCAR2ALDH1A1TP53
SCHEMBL23715356 0.77 KDM1A (0.45) PIN1HDAC9ALDH1A1KDM1ATDP1
SCHEMBL19469462 0.77 ALDH1A1 (0.43) PIN1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
US-9932338-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-04-03 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed
US-20170158694-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-08 US disclosed
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
EP-1919886-B1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-10-06 EP disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 US disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 US disclosed
US-20080300285-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2008-12-04 US disclosed
US-20080300285-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2008-12-04 US disclosed
US-20080300285-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2008-12-04 US disclosed
EP-1919886-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2008-05-14 EP disclosed
WO-2008004698-A2 PYRAZOLO [1, 5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-01-10 WO disclosed
WO-2007020377-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 WO disclosed
WO-2007020377-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 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 (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-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR PIN1 3642/4885HDAC9 1312/4885HCAR2 187/4885
US-20080300285-A1 Chemical Compounds CHRM5, OR10J3, CHRM3 PIN1 4694/4885HDAC9 576/4885HCAR2 2783/4885
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C PIN1 3338/4885HDAC9 719/4885HCAR2 1299/4885
US-20170158694-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B PIN1 4785/4885HDAC9 2086/4885HCAR2 48/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C PIN1 3338/4885HDAC9 719/4885HCAR2 1299/4885

“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.