SCHEMBL165673

SCHEMBL165673

O=C(O)NCCN1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.60
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA9 Q16790 3/20 0.60
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 1/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RAB9A P51151 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
PRMT8 Q9NR22 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL1934698 0.98 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL21065340 0.91 CA12 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL9990414 0.87 SMN1; SMN2 (0.53) CA12CA1CA2CA9ALDH1A1
Cyclohexanol SCHEMBL9499967 0.86 CA12 (0.50) CA12CA1CA2CA9ALDH1A1
Cyclohexanol SCHEMBL9497715 0.86 CA12 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL2755862 0.85 RAD52 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL9990508 0.85 SMN1; SMN2 (0.57) CA12CA1CA2CA9ALDH1A1
SCHEMBL18824247 0.85 HDAC2 (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL7068538 0.84 RAD52 (0.55) CA12CA1CA2CA9ALDH1A1
SCHEMBL4069459 0.83 HSD17B10 (0.54) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107753-A2 TREATMENT OF ASCT2-DEPENDENT CANCERS NEUPHARMA, INC (US) 2024-05-23 WO claimed
US-11130750-B2 Calcium channel inhibitors CAVION, INC. (US) 2021-09-28 US claimed
US-10912784-B2 Certain chemical entities, compositions, and methods SUZHOU NEUPHARMA CO., LTD. (CN) 2021-02-09 US claimed
EP-3296313-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS SUZHOU NEUPHARMA CO LTD (CN) 2020-12-16 EP claimed
US-20200385367-A1 CALCIUM CHANNEL INHIBITORS CAVION, INC. 2020-12-10 US claimed
US-20200354398-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-11-12 US claimed
EP-3453714-B1 CARDENOLIDE AND BUFADIENOLIDE 3-CARBONATE AND 3-CARBAMATE DERIVATIVES FOR THE TREATMENT OF CANCER AND COMPOSITIONS THEREOF SUZHOU NEUPHARMA CO LTD (CN) 2020-11-04 EP claimed
US-10766920-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-09-08 US claimed
US-20200085846-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS SUZHOU NEUPHARMA CO., LTD. (CN) 2020-03-19 US claimed
US-20200024303-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-01-23 US claimed
CN-104080335-A Certain chemical entities, compositions, and methods QIAN XIANGPING 2014-10-01 CN claimed
US-20140135332-A1 AROMATIC AMIDES AND USES THEREOF BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2014-05-15 US claimed
CN-102203112-B Certain compounds, compositions and methods SUZHOU NEUPHARMA CO LTD 2014-05-07 CN claimed
CN-103619865-A Certain chemical entities, compositions, and methods SUZHOU NEUPHARMA CO LTD 2014-03-05 CN claimed
EP-2699557-A1 AROMATIC AMIDES AND USES THEREOF Biota Scientific Management Pty Ltd (AU) 2014-02-26 EP claimed
US-8614211-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2013-12-24 US claimed
US-20130040945-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2013-02-14 US claimed
WO-2013023145-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-02-14 WO claimed
WO-2012142671-A1 AROMATIC AMIDES AND USES THEREOF BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-10-26 WO claimed
US-20120196842-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2012-08-02 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-11130750-B2 Calcium channel inhibitors CACNA1F, ORAI1, CACNA1E CA12 1400/4885CA1 391/4885CA2 82/4885
US-20200354398-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 CA12 271/4885CA1 2558/4885CA2 1540/4885
US-10912784-B2 Certain chemical entities, compositions, and methods UGT2B7, BCCIP, ABCG2 CA12 941/4885CA1 2824/4885CA2 1613/4885
US-20120196842-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 CA12 271/4885CA1 2558/4885CA2 1540/4885
US-20200385367-A1 CALCIUM CHANNEL INHIBITORS CACNA1F, ORAI1, CACNA1E CA12 1400/4885CA1 391/4885CA2 82/4885
US-10766920-B2 Certain chemical entities, compositions, and methods TP53, VHL, SGMS2 CA12 271/4885CA1 2558/4885CA2 1540/4885
US-20200024303-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 CA12 271/4885CA1 2558/4885CA2 1540/4885
US-20200085846-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS UGT2B7, BCCIP, ABCG2 CA12 941/4885CA1 2824/4885CA2 1613/4885
US-20130040945-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS RXRG, ARNT, RARS2 CA12 986/4885CA1 2686/4885CA2 2121/4885
US-20140135332-A1 AROMATIC AMIDES AND USES THEREOF NAT1, ASNS, CYP2C9 CA12 2766/4885CA1 1695/4885CA2 1020/4885

“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.