SCHEMBL16065872

SCHEMBL16065872

COC1CCN(C2CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.35
PDE7A Q13946 1/20 0.34
ABCB1 P08183 1/20 0.33
IKZF2 Q9UKS7 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRM1 P11229 1/20 0.30

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
SCHEMBL1825076 0.90 HRH3 (0.42) HRH3PDE7AABCB1NPC1RAB9A
SCHEMBL16065953 0.90 HRH3 (0.39) HRH3PDE7AABCB1NPC1RAB9A
SCHEMBL10190128 0.86 KDM4E (0.39) HRH3ABCB1IKZF2KMT2ACYP2D6
SCHEMBL8266529 0.86 HRH3 (0.38) HRH3CYP2D6CHRM1
SCHEMBL16622453 0.85 PDE7A (0.37) HRH3PDE7AIRAK4
SCHEMBL24294895 0.85 HRH3 (0.40) HRH3PDE7AABCB1IKZF2CYP2D6
SCHEMBL18034123 0.85 HRH3 (0.43) HRH3ABCB1CYP2D6CYP2C19
SCHEMBL10190130 0.84 CHRM1 (0.33) HRH3IKZF2CHRM1
SCHEMBL233141 0.84 CHRM2 (0.37) HRH3KMT2ACYP2D6CHRM1
SCHEMBL5857613 0.84 HRH3 (0.34) HRH3PDE7ANPC1RAB9AKMT2A

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
EP-3892276-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AS WNT INHIBITORS BioSplice Therapeutics, Inc. (US) 2021-10-13 EP disclosed
US-10947217-B2 Isoquinolin-3-YL carboxamides and preparation and use thereof SAMUMED, LLC (US) 2021-03-16 US disclosed
EP-3448386-B1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED LLC (US) 2021-03-03 EP disclosed
US-20200299263-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF TENARX, INC. 2020-09-24 US disclosed
US-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2019-08-22 US disclosed
US-9951048-B1 Isoquinolin-3-yl carboxamides and preparation and use thereof SAMUMED, LLC (US) 2018-04-24 US disclosed
US-20170313682-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF TENARX, INC. 2017-11-02 US disclosed
WO-2017189829-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED, LLC (US) 2017-11-02 WO disclosed
US-9718825-B2 N-(4-(azaindazol-6-yl)-phenyl)-sulfonamides and their use as pharmaceuticals SANOFI (FR) 2017-08-01 US disclosed
EP-2970259-B1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-12-21 EP disclosed
US-20160024097-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-01-28 US disclosed
WO-2014140065-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-09-18 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-20200299263-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF WNT1, WNT3, WNT3A HRH3 2318/4885PDE7A 3919/4885ABCB1 1910/4885
US-20160024097-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SGK1, SGK3, SGK2 HRH3 2327/4885PDE7A 1841/4885ABCB1 2010/4885
US-10947217-B2 Isoquinolin-3-YL carboxamides and preparation and use thereof WNT1, WNT3, WNT3A HRH3 2318/4885PDE7A 3919/4885ABCB1 1910/4885
US-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, RABL6 HRH3 926/4885PDE7A 394/4885ABCB1 2328/4885
US-20170313682-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF WNT1, WNT3, WNT3A HRH3 2318/4885PDE7A 3919/4885ABCB1 1910/4885

“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.