SCHEMBL786718

SCHEMBL786718

O=C(c1ccc(F)cc1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.84
RAB9A P51151 1/20 0.84
ATM Q13315 1/20 0.84
KDM4E B2RXH2 2/20 0.72
MEN1 O00255 2/20 0.72
ALDH1A1 P00352 2/20 0.72
KMT2A Q03164 2/20 0.72
HSD11B1 P28845 4/20 0.68
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
PARP10 Q53GL7 3/20 0.64
DRD2 P14416 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
SLC18A3 Q16572 1/20 0.56
NAMPT P43490 1/20 0.56
PARP14 Q460N5 1/20 0.56

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
SCHEMBL7912433 0.96 NPC1 (0.78) NPC1RAB9AATMKDM4EMEN1
SCHEMBL27629062 0.94 NPC1 (0.74) NPC1RAB9AATMKDM4EMEN1
SCHEMBL10720211 0.92 CA12 (0.76) NPC1RAB9AATMKDM4EMEN1
SCHEMBL4206605 0.89 CA12 (0.71) NPC1RAB9AATMKDM4EMEN1
SCHEMBL13212972 0.85 CA12 (0.71) NPC1RAB9AATMKDM4EMEN1
SCHEMBL95659 0.85 CA12 (0.67) NPC1RAB9AATMKDM4EMEN1
SCHEMBL3455533 0.84 RAB9A (0.87) NPC1RAB9AATMKDM4EMEN1
SCHEMBL3455513 0.82 RAB9A (0.62) NPC1RAB9AATMKDM4EMEN1
SCHEMBL3455514 0.82 RAB9A (0.62) NPC1RAB9AATMKDM4EMEN1
SCHEMBL21780126 0.82 CA12 (0.60) NPC1RAB9AATMKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 US disclosed
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 US disclosed
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2023-08-24 US disclosed
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2023-08-24 US disclosed
US-11648236-B2 Methods of treating coronavirus VERU INC. (US) 2023-05-16 US disclosed
US-11648236-B2 Methods of treating coronavirus VERU INC. (US) 2023-05-16 US disclosed
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2021-10-07 US disclosed
US-11084811-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2021-08-10 US disclosed
US-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 US disclosed
US-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 US disclosed
US-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 US disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 US disclosed
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 US disclosed
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 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 (11 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-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 NPC1 1453/4885RAB9A 1147/4885ATM 1916/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 NPC1 3854/4885RAB9A 2933/4885ATM 1749/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 NPC1 1453/4885RAB9A 1147/4885ATM 1916/4885
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS TUBB3, TUBB1, TUBB NPC1 2306/4885RAB9A 2146/4885ATM 3356/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 NPC1 3854/4885RAB9A 2933/4885ATM 1749/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 NPC1 1453/4885RAB9A 1147/4885ATM 1916/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 NPC1 1453/4885RAB9A 1147/4885ATM 1916/4885
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB NPC1 817/4885RAB9A 2505/4885ATM 1784/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 NPC1 1453/4885RAB9A 1147/4885ATM 1916/4885
US-11648236-B2 Methods of treating coronavirus TUBB3, TUBB1, TUBB NPC1 817/4885RAB9A 2505/4885ATM 1784/4885
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB NPC1 817/4885RAB9A 2505/4885ATM 1784/4885

“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.