SCHEMBL4374038

SCHEMBL4374038

NCCCCCc1ncc[nH]1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.59
TERT O14746 1/20 0.50
HRH1 P35367 10/20 0.43
HRH3 Q9Y5N1 3/20 0.43
HRH2 P25021 2/20 0.43
HRH4 Q9H3N8 2/20 0.43
ALOX15 P16050 1/20 0.41

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
SCHEMBL2369808 1.00 TBXAS1 (0.59) TBXAS1TERTHRH1HRH3HRH2
SCHEMBL7816746 1.00 TBXAS1 (0.59) TBXAS1TERTHRH1HRH3HRH2
SCHEMBL6583404 1.00 TBXAS1 (0.59) TBXAS1TERTHRH1HRH3HRH2
SCHEMBL9658514 1.00 TBXAS1 (0.59) TBXAS1TERTHRH1HRH3HRH2
Hydrochloric Acid SCHEMBL6584989 0.98 TBXAS1 (0.60) TBXAS1TERTHRH1HRH3HRH2
SCHEMBL1028789 0.98 TBXAS1 (0.56) TBXAS1TERTHRH1HRH3HRH2
Hydrochloric Acid SCHEMBL9659463 0.96 TBXAS1 (0.57) TBXAS1TERTHRH1HRH3HRH2
SCHEMBL72312 0.92
Bromide SCHEMBL29037591 0.90 TBXAS1 (0.51) TBXAS1TERTHRH3HRH4ALOX15
Hydrochloric Acid SCHEMBL11095387 0.90 TBXAS1 (0.54) TBXAS1TERTHRH3HRH4ALOX15

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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 US disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed
US-7109329-B2 Neurologically active compounds and compounds with multiple activities NAFTCHI N ERIC 2006-09-19 US disclosed
US-20040092536-A1 Neurologically active compounds and compounds with multiple activities NAFTCHI N ERIC (US) 2004-05-13 US disclosed
US-6413962-B1 ANESTHESIA AND TEMPERATURES REDUCTION; ALPHA-ADRENOCEPTOR AGONIST; RESTORATIVE TO CENTRAL NERVOUS SYSTEM, ESPECIALLY MOTOR AND SENSORY FUNCTIONAL LOSSES FROM TRAMATIC SPINAL CORD INJURIES; ANTISPASTICS; NONSEDATIVE; SIDE EFFECT REDUCTION NAFTCHI N ERIC (US) 2002-07-02 US disclosed
EP-1157008-A1 QUINOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2001-11-28 EP disclosed
WO-2000050405-A1 QUINOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2000-08-31 WO disclosed
US-5958933-A HAVING A GUANIDINO GROUP ALIPHATICALLY LINKED TO A XANTHINE GROUP, ADRENERGIC STIMULANTS NAFTCHI N ERIC (US) 1999-09-28 US disclosed
US-5081131-A Omega-((hetero)alkyl)benz(cd)-indol-2-amines AMERICAN CYANAMID COMPANY (US) 1992-01-14 US 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R TBXAS1 1341/4885TERT 4233/4885HRH1 217/4885
US-20040092536-A1 Neurologically active compounds and compounds with multiple activities ACHE, GRIN2A, GRIK2 TBXAS1 1347/4885TERT 4124/4885HRH1 4163/4885
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES ADRB2, ADRB1, CHRNA7 TBXAS1 544/4885TERT 4807/4885HRH1 636/4885

“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.