SCHEMBL4042957

SCHEMBL4042957

O=c1[nH]c2ccccc2n1CCN1CCCC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.79
HTR7 P34969 6/20 0.72
P2RX7 Q99572 3/20 0.67
HPGD P15428 2/20 0.59
ADORA3 P0DMS8 2/20 0.58
CHRM1 P11229 2/20 0.58
SLC6A4 P31645 2/20 0.58
ADRA1A P35348 2/20 0.58
OPRM1 P35372 2/20 0.58
DRD3 P35462 2/20 0.58
KCNH2 Q12809 2/20 0.58
ABCB11 O95342 1/20 0.58
HTR1A P08908 1/20 0.58
ADRA2A P08913 1/20 0.58
DRD1 P21728 1/20 0.58
TBXA2R P21731 1/20 0.58
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57

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
Hydrochloric Acid SCHEMBL9725458 0.98 LMNA (0.82) LMNAHTR7P2RX7HPGDADORA3
SCHEMBL738001 0.98 LMNA (0.82) LMNAHTR7P2RX7HPGDADORA3
SCHEMBL11119055 0.90 LMNA (0.97) LMNAHTR7P2RX7ADORA3CHRM1
SCHEMBL30216825 0.88 HTR7 (0.73) LMNAHTR7P2RX7ADORA3CHRM1
SCHEMBL739228 0.88 HTR7 (0.73) LMNAHTR7P2RX7HPGDADORA3
SCHEMBL11196707 0.88 HTR7 (0.69) LMNAHTR7P2RX7HPGDADORA3
Hydrochloric Acid SCHEMBL9725420 0.87 HTR7 (0.71) LMNAHTR7P2RX7HPGDADORA3
SCHEMBL11197962 0.85 HTR7 (0.74) LMNAHTR7P2RX7ADORA3CHRM1
SCHEMBL8135911 0.84 HTR7 (1.00) LMNAHTR7P2RX7ADORA3CHRM1
SCHEMBL5549618 0.84 LMNA (0.61) LMNAHTR7P2RX7HPGDOPRM1

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
US-20170183313-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LTD (IE) 2017-06-29 US disclosed
US-20170183313-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LTD (IE) 2017-06-29 US disclosed
US-20150126553-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LIMITED (IE) 2015-05-07 US disclosed
US-20150126553-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LIMITED (IE) 2015-05-07 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 EP disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP 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-20150126553-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NFATC1, RORC, ICOS LMNA 4812/4885HTR7 1298/4885P2RX7 877/4885
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 LMNA 2774/4885HTR7 547/4885P2RX7 1830/4885
US-20170183313-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NFATC1, RORC, ICOS LMNA 4812/4885HTR7 1283/4885P2RX7 844/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 LMNA 2846/4885HTR7 502/4885P2RX7 1613/4885

“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.