SCHEMBL12509459

SCHEMBL12509459

CCC(C)CC1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CPN1 P15169 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.40
▸ GNAO1 P09471 2/20 0.35
▸ GNAI3 P08754 1/20 0.35
▸ GNAI1 P63096 1/20 0.35
▸ GBA1 P04062 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ ANPEP P15144 1/20 0.30
▸ ERAP2 Q6P179 1/20 0.30
▸ ALOX15 P16050 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
SCHEMBL26049755 0.87 SLC6A1 (0.39) CPN1CPB2GNAO1GNAI3GNAI1
SCHEMBL27912761 0.87 SLC6A1 (0.39) CPN1CPB2GNAO1GNAI3GNAI1
SCHEMBL5655242 0.83 — —
SCHEMBL19173663 0.83 CPN1 (0.38) CPN1CPB2GNAO1GNAI3GNAI1
SCHEMBL1019292 0.80 CPN1 (0.43) CPN1CPB2GNAO1GNAI3GNAI1
SCHEMBL18922349 0.80 CPN1 (0.52) CPN1CPB2GNAO1GNAI3GNAI1
SCHEMBL27976955 0.79 CPN1 (0.41) CPN1CPB2GNAO1GNAI3GNAI1
SCHEMBL28881922 0.78 CPN1 (0.38) CPN1CPB2GNAO1GNAI3GNAI1
SCHEMBL11186422 0.78 CPN1 (0.38) CPN1CPB2GNAO1GNAI3GNAI1
SCHEMBL9383869 0.78 GNAO1 (0.38) CPN1CPB2GNAO1GNAI3GNAI1

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
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 — — US disclosed
WO-2023212599-A2 COMPOUNDS AND METHODS FOR TARGETED DEGRADATION OF ESTROGEN RECEPTORS ENDOTARGET INC. (US) 2023-11-02 — — WO disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 — — US disclosed
US-20220388980-A1 QUINOLINE INHIBITORS OF RAD52 AND METHODS OF USE UNIV DREXEL (US) 2022-12-08 — — US disclosed
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2022-04-26 — — US disclosed
US-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2021-01-07 — — US disclosed
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2020-12-08 — — US disclosed
US-10172858-B2 Combination pharmaceutical compositions and uses thereof INTELLIKINE LLC (US) 2019-01-08 — — US disclosed
US-20180134832-A1 QUATERNARY PHOSPHONIUM COATED SURFACES AND METHODS OF MAKING THE SAME ORTHOBOND INC (US) 2018-05-17 — — US disclosed
EP-2809156-B1 ALLOSTERIC MODULATORS OF 5-HYDROXYTRYPTAMINE 2C RECEPTOR (5-HT2CR) UNIV TEXAS (US) 2017-05-24 — — EP disclosed
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 — — US disclosed
WO-2009131129-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND 第一三共株式会社 (JP) 2009-10-29 — — 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 (8 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-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 CPN1 2941/4885CPB2 3461/4885GNAO1 2345/4885
US-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK CPN1 3856/4885CPB2 4240/4885GNAO1 537/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK CPN1 3856/4885CPB2 4240/4885GNAO1 537/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK CPN1 3856/4885CPB2 4240/4885GNAO1 537/4885
US-20220388980-A1 QUINOLINE INHIBITORS OF RAD52 AND METHODS OF USE RAD52, RECQL, RAD50 CPN1 2415/4885CPB2 1633/4885GNAO1 2483/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK CPN1 3856/4885CPB2 4240/4885GNAO1 537/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK CPN1 3856/4885CPB2 4240/4885GNAO1 537/4885
US-10172858-B2 Combination pharmaceutical compositions and uses thereof CDC25C, CCNC, CDC25B CPN1 3238/4885CPB2 2832/4885GNAO1 4447/4885

“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.

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