SCHEMBL16178993

SCHEMBL16178993

Fc1ccc2c[nH]nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
BACE1 P56817 1/20 0.39
AR P10275 1/20 0.39
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 1/20 0.38
AHR P35869 2/20 0.38
TYMS P04818 2/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ILK Q13418 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
CASP3 P42574 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MPO P05164 1/20 0.33

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
SCHEMBL16523329 0.83 BACE1 (0.44) KDM4EBACE1KMT2ACYP1A2CYP2A6
SCHEMBL31275 0.76 CYP1A2 (0.50) KDM4EBACE1KMT2ACYP1A2CYP2A6
SCHEMBL17696315 0.74 TYMS (0.37) TYMS
SCHEMBL13423879 0.74 KMT2A (0.52) KDM4EKMT2ACYP3A4MAPTCASP1
SCHEMBL27348359 0.74
SCHEMBL25207842 0.74 BACE1 (0.45) KDM4EBACE1KMT2ACYP1A2CYP2A6
SCHEMBL16523332 0.74 DYRK1A (0.48) KDM4EBACE1ARKMT2ACYP1A2
SCHEMBL30758869 0.74 ALDH1A1 (0.48) KDM4EKMT2ACYP1A2PDE3BPDE3A
SCHEMBL31317383 0.71 CYP17A1 (0.39) KDM4ECYP1A2NPC1CYP3A4MAPT
SCHEMBL18066769 0.71 ENPP2 (0.46) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4660199-A1 19-NOR NEUROACTIVE STEROIDS FOR INDUCING SEDATION Sage Therapeutics, Inc. (US) 2025-12-10 EP disclosed
US-20240239836-A9 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20240239836-A9 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2024-07-18 US disclosed
EP-3719030-B1 19-NOR NEUROACTIVE STEROIDS FOR INDUCING SEDATION SAGE THERAPEUTICS INC (US) 2024-07-10 EP disclosed
EP-3719030-B1 19-NOR NEUROACTIVE STEROIDS FOR INDUCING SEDATION SAGE THERAPEUTICS INC (US) 2024-07-10 EP disclosed
US-20240025942-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20240025942-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20240025942-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2024-01-25 US disclosed
CN-117304245-A 19-nor steroids that stimulate neural activity and methods of use thereof 萨奇治疗股份有限公司 2023-12-29 CN disclosed
US-20230279044-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS INC (US) 2023-09-07 US disclosed
US-9365611-B2 19-NOR neuroactive steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2016-06-14 US disclosed
US-9365611-B2 19-NOR neuroactive steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2016-06-14 US disclosed
WO-2016061527-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. (US) 2016-04-21 WO disclosed
US-20160083418-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2016-03-24 US disclosed
US-20160083418-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2016-03-24 US disclosed
US-20160083418-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2016-03-24 US disclosed
WO-2014169832-A9 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2016-03-03 WO disclosed
EP-2986624-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF Sage Therapeutics, Inc. (US) 2016-02-24 EP disclosed
WO-2015027227-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. (US) 2015-02-26 WO disclosed
WO-2014169832-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2014-10-23 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 (4 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-20240239836-A9 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF ADRB2, TACR2, CNR1 KDM4E 2129/4885BACE1 938/4885AR 141/4885
US-20230279044-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF ADRB2, TACR2, CNR1 KDM4E 2129/4885BACE1 938/4885AR 141/4885
US-20160083418-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF NR3C2, HSD3B1, HSD3B2 KDM4E 3165/4885BACE1 72/4885AR 624/4885
US-20240025942-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF GABRR1, NR3C2, GABRA1 KDM4E 2296/4885BACE1 891/4885AR 153/4885

“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.