SCHEMBL439594

SCHEMBL439594

CC(C)CC1CCCN1C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB3 Q05901 1/20 0.39

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
SCHEMBL8320293 1.00 CYP1A2 (0.44) CYP1A2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL6960581 1.00 CYP1A2 (0.44) CYP1A2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL12090069 0.93 CYP1A2 (0.52) CYP1A2CHRNB4CHRNA3
SCHEMBL12985779 0.93 CYP1A2 (0.52) CYP1A2CHRNB4CHRNA3
SCHEMBL12089498 0.93 CYP1A2 (0.52) CYP1A2CHRNB4CHRNA3
SCHEMBL17834046 0.86
SCHEMBL21859507 0.86
SCHEMBL17834044 0.86
SCHEMBL23634572 0.83 CYP1A2 (0.41) CYP1A2
SCHEMBL22485709 0.83 CYP1A2 (0.41) CYP1A2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230374035-A1 RAS INHIBITORS Revolution Medicines, Inc. 2023-11-23 US disclosed
US-20230303530-A1 COMPOUNDS AS NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XWPharma Ltd. (KY) 2023-09-28 US disclosed
US-20230293706-A1 Multicomponent Delivery Systems for Polyanionic Cargo Compound Delivery MEDICI THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230285581-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2023-09-14 US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
EP-1866293-A1 COMPOUNDS COMPRISING AN OXAZOLE OR THIAZOLE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2007-12-19 EP disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
WO-2006103045-A1 COMPOUNDS COMPRISING AN OXAZOLE OR THIAZOLE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA S.A. (BE) 2006-10-05 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 (9 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-20230293706-A1 Multicomponent Delivery Systems for Polyanionic Cargo Compound Delivery MTREX, EXOSC5, KPNA6 CYP1A2 4883/4885CHRNB4 3340/4885CHRNA3 3954/4885
US-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS CYP1A2 4561/4885CHRNB4 4820/4885CHRNA3 4833/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 CYP1A2 4180/4885CHRNB4 4767/4885CHRNA3 4796/4885
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS CYP1A2 3979/4885CHRNB4 4183/4885CHRNA3 4195/4885
US-20230285581-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF ASGR1, CUTA, SRPRA CYP1A2 2645/4885CHRNB4 4840/4885CHRNA3 4762/4885
US-20230374035-A1 RAS INHIBITORS KRAS, NRAS, HRAS CYP1A2 4576/4885CHRNB4 4845/4885CHRNA3 4860/4885
US-20230303530-A1 COMPOUNDS AS NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPOT, XPO1, XPO5 CYP1A2 3155/4885CHRNB4 2680/4885CHRNA3 2348/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS CYP1A2 4561/4885CHRNB4 4820/4885CHRNA3 4833/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS CYP1A2 3979/4885CHRNB4 4183/4885CHRNA3 4195/4885

“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.