SCHEMBL9953362

SCHEMBL9953362

COc1cc(N)c(C2CC2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
GAA P10253 2/20 0.53
HTR2C P28335 9/20 0.44
HTR2A P28223 7/20 0.44
HTR2B P41595 6/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
STAT3 P40763 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
HTR4 Q13639 1/20 0.38

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
SCHEMBL28105359 0.86 NPC1 (0.58) NPC1GAAHTR2CHTR2AHTR2B
SCHEMBL30888631 0.85 HTR2C (0.53) NPC1GAAHTR2CHTR2AHTR2B
SCHEMBL16117981 0.79 GAA (0.53) NPC1GAAHTR2CHTR2AHTR2B
SCHEMBL21156708 0.78 HTR2A (0.53) NPC1HTR2CHTR2A
SCHEMBL5951825 0.76 GAA (0.78) NPC1GAAALDH1A1TSHRTAAR1
SCHEMBL108063 0.74 NPC1 (1.00) NPC1GAAHTR2CHTR2AHTR2B
SCHEMBL29601238 0.74 NPC1 (1.00) NPC1GAAHTR2CHTR2AHTR2B
SCHEMBL29466462 0.74 GAA (0.83) NPC1GAAALDH1A1TSHRHTT
SCHEMBL92067 0.74 GAA (0.83) NPC1GAAALDH1A1TSHRHTT
Hydrochloric Acid SCHEMBL1401287 0.74 GAA (0.75) NPC1GAAALDH1A1TSHRTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567355-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2017-02-14 US disclosed
US-9567355-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2017-02-14 US disclosed
US-9567355-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2017-02-14 US disclosed
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-12-08 US disclosed
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-12-08 US disclosed
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-12-08 US disclosed
US-9453007-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2016-09-27 US disclosed
US-9453007-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2016-09-27 US disclosed
US-9453007-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2016-09-27 US disclosed
CN-103848785-B One class deuterated 3-cyano quinoline compound, its Pharmaceutical composition, preparation method and its usage 上海医药集团股份有限公司 2016-07-13 CN disclosed
US-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-01-07 US disclosed
US-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-01-07 US disclosed
US-9173887-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2015-11-03 US disclosed
US-9173887-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2015-11-03 US disclosed
US-9173887-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2015-11-03 US disclosed
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-02-06 US disclosed
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-02-06 US disclosed
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-02-06 US disclosed
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 EP disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 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 (3 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-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 NPC1 154/4885GAA 288/4885HTR2C 4506/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 NPC1 154/4885GAA 288/4885HTR2C 4506/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 NPC1 154/4885GAA 288/4885HTR2C 4506/4885

“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.