SCHEMBL8222741

SCHEMBL8222741

CC(C)NCC1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
KCNH3 Q9ULD8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTR2C P28335 1/20 0.32
KDM1A O60341 1/20 0.31
HTT P42858 1/20 0.31
SSTR3 P32745 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL10104157 0.87 PIK3CD (0.31) PIK3CDSIGMAR1HTR2C
SCHEMBL26718853 0.87 PIK3CD (0.31) PIK3CDSIGMAR1HTR2C
SCHEMBL24171101 0.87 PIK3CD (0.31) PIK3CDSIGMAR1HTR2C
SCHEMBL13884246 0.83 SIGMAR1 (0.45) SIGMAR1HTR2CHTT
SCHEMBL17369631 0.83 SIGMAR1 (0.45) SIGMAR1HTR2CHTT
SCHEMBL104225 0.83
SCHEMBL7350729 0.83 PIK3CD (0.34) PIK3CDSIGMAR1KCNH3KDM1ANPC1
SCHEMBL7287796 0.83 SIGMAR1 (0.37) PIK3CDSIGMAR1KCNH3ALDH1A1NPC1
SCHEMBL19936066 0.81 SIGMAR1 (0.40) PIK3CDSIGMAR1KCNH3HTT
Hydrochloric Acid SCHEMBL21879609 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF ASIA VISION LIMITED (CN) 2024-07-18 US disclosed
US-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF ASIA VISION LIMITED (CN) 2024-07-18 US disclosed
EP-3672976-B1 BCL-2 INHIBITORS GUANGZHOU LUPENG PHARMACEUTICAL COMPANY LTD (CN) 2023-12-13 EP disclosed
WO-2023220425-A1 BCL-XL/BCL-2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
WO-2023209084-A1 CONDENSED BICYCLIC HETEROAROMATIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-11-02 WO disclosed
WO-2023209090-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AND THEIR APPLICATION IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-11-02 WO disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 US disclosed
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 US disclosed
WO-2012078834-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 WO disclosed
EP-2377860-A1 Novel compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC Immune S.A. (CH) 2011-10-19 EP disclosed
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-10-13 US disclosed
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
US-20100305122-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20100305122-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
WO-2007140982-A1 SUBSTITUTED BENZOXAZOLES BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 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 (6 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885SIGMAR1 2719/4885KCNH3 3833/4885
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 PIK3CD 1019/4885SIGMAR1 2041/4885KCNH3 2103/4885
US-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF BCL2, BCL2L2, BCL2L1 PIK3CD 1815/4885SIGMAR1 4406/4885KCNH3 4440/4885
US-20100305122-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 PIK3CD 2078/4885SIGMAR1 4862/4885KCNH3 4485/4885
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF CACNA1E, CACNA1B, CACNA1S PIK3CD 1950/4885SIGMAR1 119/4885KCNH3 70/4885
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 CLK1, CLK2, CLK3 PIK3CD 1867/4885SIGMAR1 3090/4885KCNH3 3709/4885

“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.