SCHEMBL520966

SCHEMBL520966

Nc1cccc(N2CCN(CCO)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.62
DRD2 P14416 3/20 0.53
HTR1A P08908 2/20 0.52
KCNH2 Q12809 4/20 0.50
CYP2D6 P10635 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
MTOR P42345 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL1598706 0.83 DRD2 (0.74) DRD2KCNH2DRD3OPRM1HTR7
SCHEMBL12879718 0.82 KCNH2 (0.74) DRD2KCNH2ALDH1A1MAPTHTR7
SCHEMBL5430857 0.82 L3MBTL1 (0.53) DRD2KCNH2MAPTTSHRSMN1; SMN2
SCHEMBL7289093 0.82 KCNH2 (0.74) HTR1AKCNH2HTR7
SCHEMBL9537160 0.82 DRD2 (0.51) DRD2HTR1AKCNH2DRD3OPRM1
SCHEMBL6942579 0.82 ADRA2C (0.80) ADRA2CHTR1AALDH1A1CYP3A4MAPT
SCHEMBL3230486 0.81 HTR7 (0.59) DRD2HTR1AKCNH2ALDH1A1MAPT
SCHEMBL6150880 0.81 MAPT (0.62) ADRA2CDRD2HTR1AKCNH2CYP2D6
SCHEMBL6151437 0.81 MAPT (0.62) ADRA2CDRD2HTR1AKCNH2CYP2D6
SCHEMBL188852 0.81 MAPT (0.62) ADRA2CDRD2HTR1AKCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022157166-A1 THIAZOLOPYRIMIDONES AS INHIBITORS OF DDR1/2 AND THERAPEUTIC USES THEREOF Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2022-07-28 WO disclosed
WO-2022157166-A1 THIAZOLOPYRIMIDONES AS INHIBITORS OF DDR1/2 AND THERAPEUTIC USES THEREOF Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2022-07-28 WO disclosed
EP-4032896-A1 THIAZOLOPYRIMIDONES AS INHIBITORS OF DDR1/2 AND THERAPEUTIC USES THEREOF Fundación del Sector Público Estatal Centro Nacional de Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2022-07-27 EP disclosed
EP-3514153-B1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF HANMI PHARM IND CO LTD (KR) 2021-07-07 EP disclosed
EP-3789386-A1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF Hanmi Pharm. Co., Ltd. (KR) 2021-03-10 EP disclosed
EP-3212652-B1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK (CA) 2021-02-17 EP disclosed
EP-3212652-B1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK (CA) 2021-02-17 EP disclosed
US-10875863-B2 RIPK2 inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2020-12-29 US disclosed
US-10875863-B2 RIPK2 inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2020-12-29 US disclosed
CN-107454899-B RIPK2 inhibitors and methods of treating cancer therewith 大学健康网络 2020-05-29 CN disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
US-6710044-B2 Technical field NEUROSEARCH A/S (DK) 2004-03-23 US disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions NEUROSEARCH A/S 2003-09-04 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US disclosed
US-6503925-B1 Treating anxiety, anesthesia, and epilepsy NEUROSEARCH A/S (DK) 2003-01-07 US disclosed
CN-1356987-A Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds NEUROSEARCH AS (DK) 2002-07-03 CN disclosed
US-6218547-B1 1-phenyl-benzimidazole compounds and their use as GABA-a receptor modulators NEUROSEARCH A/S (DK) 2001-04-17 US disclosed
EP-0934281-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-11 EP disclosed
WO-1998017651-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA-A RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1998-04-30 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-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions GABRA1, GABRA2, GABRA4 ADRA2C 82/4885DRD2 488/4885HTR1A 123/4885
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 ADRA2C 40/4885DRD2 1816/4885HTR1A 1344/4885
US-10875863-B2 RIPK2 inhibitors and method of treating cancer with same RIPK2, RIPK1, RIPK4 ADRA2C 4753/4885DRD2 4558/4885HTR1A 4757/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 ADRA2C 39/4885DRD2 1504/4885HTR1A 1602/4885

“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.