SCHEMBL16574152

SCHEMBL16574152

Cc1ccc(Cl)cc1-c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.55
GSTP1 P09211 1/20 0.48
ABL1 P00519 2/20 0.48
MAP4K4 O95819 1/20 0.46
CNR1 P21554 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL16574093 0.79 MAP4K4 (0.51) ABL1MAP4K4CNR1ESR2CYP3A4
SCHEMBL3155647 0.79 CTSD (0.59) CYP2A6GSTP1HDAC4HDAC2HDAC8
SCHEMBL10388611 0.79 CYP1A2 (0.46) CYP2A6MAP4K4CNR1SLC6A3ESR2
SCHEMBL22517294 0.79 CYP2A6 (0.55) CYP2A6GSTP1CNR1HDAC4HDAC2
SCHEMBL27295101 0.79 CYP2A6 (0.55) CYP2A6GSTP1CNR1HDAC4HDAC2
SCHEMBL2713422 0.79 CYP2A6 (0.55) CYP2A6GSTP1ABL1HDAC4HDAC2
SCHEMBL13176931 0.78 MAP4K4 (0.50) ABL1MAP4K4CYP1A2SMN1; SMN2MEN1
SCHEMBL17268971 0.78 ERN1 (0.51) CYP2A6GSTP1ABL1SLC6A2SLC6A4
SCHEMBL16574007 0.77 ESR2 (0.52) MAP4K4CNR1ESR2CYP1A2ALDH1A1
SCHEMBL16574082 0.77 MAP4K4 (0.50) ABL1MAP4K4ALDH1A1CYP3A4IDO1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024091024-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-05-02 WO disclosed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 US disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 US disclosed
US-9512122-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors KAROS PHARMACEUTICALS, INC. (US) 2016-12-06 US disclosed
US-20160096836-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2016-04-07 US disclosed
US-9199994-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors KAROS PHARMACEUTICALS, INC. (US) 2015-12-01 US disclosed
US-20150080393-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2015-03-19 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 (7 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-20150080393-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP2A6 44/4885GSTP1 1312/4885ABL1 1529/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP2A6 44/4885GSTP1 1312/4885ABL1 1529/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP2A6 44/4885GSTP1 1312/4885ABL1 1529/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP2A6 44/4885GSTP1 1312/4885ABL1 1529/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP2A6 44/4885GSTP1 1312/4885ABL1 1529/4885
US-20160096836-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP2A6 44/4885GSTP1 1312/4885ABL1 1529/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP2A6 44/4885GSTP1 1312/4885ABL1 1529/4885

“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.