SCHEMBL6765948

SCHEMBL6765948

Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CCN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.59
▸ HTR1D P28221 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ HTR7 P34969 1/20 0.59
▸ HTR3A P46098 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ RAD52 P43351 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MAPT P10636 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MEN1 O00255 3/20 0.50

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
SCHEMBL5653778 0.87 MAPT (0.51) HTR6TDP1MAPTALDH1A1KDM4E
SCHEMBL9400646 0.84 MAPT (0.54) HTR6HSD17B10MAPTALDH1A1KDM4E
SCHEMBL9400712 0.84 KCNH2 (0.63) HTR6TDP1MAPTALDH1A1KDM4E
SCHEMBL8589137 0.84 HTR6 (0.61) HTR6HTR1DHTR7MAPTALDH1A1
SCHEMBL6982096 0.82 MAPT (0.46) HTR6HTR1DCYP1A2CYP3A4CYP2D6
SCHEMBL8542497 0.82 MAPT (0.53) HTR6CYP3A4HTR7HSD17B10MAPT
Hydrochloric Acid SCHEMBL8699219 0.81 MAPT (0.45) HTR6HTR1DCYP1A2CYP3A4CYP2D6
SCHEMBL27658173 0.80 MEN1 (0.50) HTR6HSD17B10RAD52BLMNPSR1
SCHEMBL4011471 0.77 ALDH1A1 (0.68) HTR6NPSR1MAPTALDH1A1KDM4E
SCHEMBL30312308 0.77 ALDH1A1 (0.68) HTR6NPSR1MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198803-A1 Such as 5-(methoxycarbonylamino)-N - acetyltryptamine; therapy for ocular hypertension; vision defects PINTOR JESUS J (ES) 2004-10-07 — — US disclosed
US-6730707-B2 SUCH AS 5-(METHOXYCARBONYLAMINO)-N-ACETYLTRYPTAMINE; TREATING OCULAR HYPERTENSION, VARIOUS FORMS OF GLAUCOMA INSPIRE PHARMACEUTICALS, INC. 2004-05-04 — — US disclosed
CN-1450896-A Method of lowering intraocular pressure using indole derivatives INSPIRE PHARMACEUTICALS INC (ES) 2003-10-22 — — CN disclosed
EP-1307191-A2 USE OF INDOLE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR REDUCING INTRACULAR PRESSURE Inspire Pharmaceuticals, Inc. (US) 2003-05-07 — — EP disclosed
US-20020037887-A1 Method for reducing intraocular pressure using indole derivatives UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2002-03-28 — — US disclosed
WO-2002009702-A2 USE OF INDOLE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR REDUCING INTRACULAR PRESSURE INSPIRE PHARMACEUTICALS, INC. (US) 2002-02-07 — — 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-20040198803-A1 Such as 5-(methoxycarbonylamino)-N - acetyltryptamine; therapy for ocular hypertension; vision defects MTNR1A, MTNR1B, MC5R HTR6 24/4885HTR1D 23/4885CYP1A2 1334/4885
US-20020037887-A1 Method for reducing intraocular pressure using indole derivatives MTNR1A, MTNR1B, MC5R HTR6 26/4885HTR1D 72/4885CYP1A2 812/4885

“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.

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