SCHEMBL1448243

SCHEMBL1448243

NN1CCCCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.46
AVPR1A P37288 5/20 0.46
TSHR P16473 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
NOTUM Q6P988 1/20 0.43
OXTR P30559 2/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
KEAP1 Q14145 1/20 0.42
USP2 O75604 1/20 0.42
CDK4 P11802 1/20 0.42
ALOX15 P16050 1/20 0.42
CCND1 P24385 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL9837085 1.00 AVPR2 (0.46) AVPR2AVPR1ATSHRSIGMAR1SMN1; SMN2
SCHEMBL1447375 0.98 TSHR (0.48) AVPR2AVPR1ATSHRSIGMAR1SMN1; SMN2
SCHEMBL483231 0.92 SMN1; SMN2 (0.53) TSHRSIGMAR1SMN1; SMN2NOTUMMEN1
SCHEMBL29612036 0.92 SMN1; SMN2 (0.53) TSHRSIGMAR1SMN1; SMN2NOTUMMEN1
Hydrochloric Acid SCHEMBL5428326 0.90 SMN1; SMN2 (0.52) TSHRSIGMAR1SMN1; SMN2NOTUMMEN1
SCHEMBL29625280 0.83 MEN1 (0.54) TSHRSIGMAR1SMN1; SMN2NOTUMMEN1
SCHEMBL112247 0.83 MEN1 (0.54) TSHRSIGMAR1SMN1; SMN2NOTUMMEN1
Hydrochloric Acid SCHEMBL1163794 0.81 MEN1 (0.52) TSHRSIGMAR1NOTUMMEN1ALDH1A1
Hydrochloric Acid SCHEMBL27490360 0.81 MEN1 (0.52) TSHRSIGMAR1NOTUMMEN1ALDH1A1
SCHEMBL23601610 0.76 MEN1 (0.50) AVPR2AVPR1ATSHRSIGMAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473563-B1 REACTIVE CYANINE COMPOUNDS PROMEGA CORP (US) 2019-06-19 EP disclosed
US-8309059-B2 Reactive cyanine compounds PROMEGA CORPORATION (US) 2012-11-13 US disclosed
US-20110053162-A1 REACTIVE CYANINE COMPOUNDS PROMEGA CORPORATION (US) 2011-03-03 US disclosed
EP-0805157-B1 INDOLE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2003-06-04 EP disclosed
US-5849731-A Indole derivatives and medical application thereof TORAY INDUSTRIES, INC. (JP) 1998-12-15 US disclosed
EP-0805157-A1 INDOLE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1997-11-05 EP disclosed
EP-0300541-B1 8,9-anellated-1,2,3,4-tetrahydro-beta-carboline derivatives DUPHAR INT RES (NL) 1996-03-27 EP disclosed
US-5328905-A Anticoagulants for blood clots and fibrinolytic activity DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1994-07-12 US disclosed
US-5100884-A 8,9-aneallated-1,2,3,4-tetrahydro-β-carboline derivatives DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1992-03-31 US disclosed
EP-0300541-A1 8,9-anellated-1,2,3,4-tetrahydro-beta-carboline derivatives DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1989-01-25 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 (1 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-20110053162-A1 REACTIVE CYANINE COMPOUNDS IK, CRYAA, POLL AVPR2 4494/4885AVPR1A 4552/4885TSHR 4125/4885

“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.