SCHEMBL981641

SCHEMBL981641

CC(=O)N1CCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.60
DRD2 P14416 1/20 0.55
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 4/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
ROCK1 Q13464 1/20 0.47
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL30575716 0.92 NOTUM (0.56) NOTUMDRD2ALDH1A1SMN1; SMN2LMNA
SCHEMBL3585115 0.92 NOTUM (0.56) NOTUMDRD2ALDH1A1SMN1; SMN2LMNA
SCHEMBL399528 0.90 NOTUM (0.51) NOTUMDRD2ALDH1A1SMN1; SMN2LMNA
SCHEMBL615623 0.88 NOTUM (0.61) NOTUMLMNANPC1MAPTHTT
SCHEMBL27872558 0.88 DRD2 (0.57) NOTUMDRD2ALDH1A1SMN1; SMN2LMNA
SCHEMBL3735431 0.87 DRD2 (0.56) NOTUMDRD2ALDH1A1SMN1; SMN2LMNA
SCHEMBL29962149 0.85 DRD2 (0.52) NOTUMDRD2ALDH1A1LMNANPC1
SCHEMBL29962960 0.85 DRD2 (0.52) DRD2LMNANPC1MAPTHTT
SCHEMBL3318846 0.85 DRD2 (0.52) DRD2LMNANPC1MAPTHTT
SCHEMBL7754766 0.85 DRD2 (0.55) NOTUMDRD2ALDH1A1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 WO disclosed
US-6159979-A Bicyclic aryl or a bicyclic heterocyclic ring containing compounds having a combined 5HT1A, 5HT1B and 5HT1D receptor antagonistic activity SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-12 US disclosed
CN-1260781-A Indole derivatives having combined 5HT1A, 5HT1B and 5HT1D receptor antagonist activity SMITHKLINE BEECHAM PLC (GB) 2000-07-19 CN disclosed
EP-0975593-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
EP-0975614-A1 A BICYCLIC ARYL OR A BICYCLIC HETEROCYCLIC RING CONTAINING COMPOUNDS HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1999029666-A1 ARYLPIPERAZINE AND ARYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-17 WO disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed
WO-1998047885-A1 A BICYCLIC ARYL OR A BICYCLIC HETEROCYCLIC RING CONTAINING COMPOUNDS HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-10-29 WO disclosed
EP-0757687-A1 TRICYCLIC DERIVATIVES AS 5HT 2C? AND 5HT 2B? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-12 EP disclosed
WO-1995029177-A1 TRICYCLIC DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 1995-11-02 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 (2 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS NOTUM 833/4885DRD2 4777/4885ALDH1A1 563/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS NOTUM 478/4885DRD2 4559/4885ALDH1A1 591/4885

“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.